Geometry & MOs

Info

ID:	237122
PubChem CID:	92717505
Reduced:	ClO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	471.215806
ΔH_f, kcal/mol:	-75.03
Dipole, Da:	7.01
IP(EA), eV:	-8.37(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13S)-8-(4-methoxyphenyl)-3,5,10,10-tetramethyl-13-[(E)-2-phenylethenyl]-12-oxa-3,5,9-triazatricyclo[7.4.0.02,7]trideca-1,7-diene-4,6-dione

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(CO[C@H](C2=C3C(=C(N21)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C)C5=CC=C(C=C5)N(C)C)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(CO[C@H](C2=C3C(=C(N21)C4=CC=C(C=C4)Cl)C(=O)N(C(=O)N3C)C)C5=CC=C(C=C5)N(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):