Geometry & MOs

Info

ID:	218603
PubChem CID:	85089673
Reduced:	OSnC25H48 (1)
Stoich.:	ABC25D48 (1)
Weight, g/mol:	481.143784
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	3.08
IP(EA), eV:	-9.06(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-9-(4-hydroxy-3-methoxyphenyl)-6-oxobenzo[b][1,4]benzodiazepine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=CC(=O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC

DOS

IR

Vibrations