Geometry & MOs

Info

ID:	394636
PubChem CID:	135023351
Reduced:	SiO7C37H50 (1)
Stoich.:	AB7C37D50 (1)
Weight, g/mol:	524.231122
ΔH_f, kcal/mol:	-302.06
Dipole, Da:	2.04
IP(EA), eV:	-9.0(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,10R,11S)-11-[(2S,3S)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-8-oxa-16-azatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6-triene-10-carboxylate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]([C@@H](O1)/C=C/C([C@H](CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCOC)O)COCC4=CC=CC=C4)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(O[C@H]([C@@H](O1)/C=C/C([C@H](CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCOC)O)COCC4=CC=CC=C4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):