Geometry & MOs

Info

ID:	162515
PubChem CID:	57394915
Reduced:	O2N3C30H33 (1)
Stoich.:	A2B3C30D33 (1)
Weight, g/mol:	455.200905
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	7.08
IP(EA), eV:	-8.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-acetyl-5-(2-fluorophenyl)-1-methyl-3-[(1-methylindol-3-yl)methyl]-3,5-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCCC3)C4=CC=C(C=C4)C(=O)NCC5CC5

DOS

IR

Vibrations