Geometry & MOs

Info

ID:	394682
PubChem CID:	135023497
Reduced:	NSCl2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-123.61
Dipole, Da:	6.89
IP(EA), eV:	-9.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CN(C[C@H]1/C=C/S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations