Geometry & MOs

Info

ID:	327947
PubChem CID:	126691476
Reduced:	O4F5C16H23 (1)
Stoich.:	A4B5C16D23 (1)
Weight, g/mol:	510.239769
ΔH_f, kcal/mol:	-491.51
Dipole, Da:	6.31
IP(EA), eV:	-11.16(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CC1CC(C1)(F)F)C(CCC(F)(F)F)C(=O)O

DOS

IR

Vibrations