Geometry & MOs

Info

ID:	220223
PubChem CID:	85165380
Reduced:	Si2O4N5C36H53 (1)
Stoich.:	A2B4C5D36E53 (1)
Weight, g/mol:	675.249999
ΔH_f, kcal/mol:	-195.46
Dipole, Da:	4.41
IP(EA), eV:	-8.57(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-[3-(2-oxo-4,5-diphenyl-1,3-oxazol-3-yl)propyl]-2-[(4-phenylmethoxyphenyl)methyl]-4-oxa-1,8-diazabicyclo[5.3.1]undec-8-en-10-one

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

CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NCC5=CC=CC=C5)O[Si](C)(C)C(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

CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=C(N=C3OCC4=CC=CC=C4)NCC5=CC=CC=C5)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):