Geometry & MOs

Info

ID:	327948
PubChem CID:	126691477
Reduced:	ClO3N4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	454.177168
ΔH_f, kcal/mol:	-108.61
Dipole, Da:	7.72
IP(EA), eV:	-9.54(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-2-(2-methylpropyl)butanediamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(CC(C)C)C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl)C)C(=O)N

DOS

IR

Vibrations