Geometry & MOs

Info

ID:	47139
PubChem CID:	10529914
Reduced:	O11C26H30 (1)
Stoich.:	A11B26C30 (1)
Weight, g/mol:	518.231791
ΔH_f, kcal/mol:	-441.52
Dipole, Da:	5.11
IP(EA), eV:	-8.73(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]-2-phenylbenzamide

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=CC=CC(=C2C(=O)CCC3=CC=C(C=C3)OC)O)CO)O

DOS

IR

Vibrations