Geometry & MOs

Info

ID:	36792
PubChem CID:	8012761
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-45.18
Dipole, Da:	5.14
IP(EA), eV:	-9.38(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-methyl-5-[2-[5-(2-methylphenyl)tetrazol-2-yl]acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

DOS

IR

Vibrations