Geometry & MOs

Info

ID:	45077
PubChem CID:	10507810
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	601.163119
ΔH_f, kcal/mol:	-10.71
Dipole, Da:	7.87
IP(EA), eV:	-8.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-(3-nitrophenyl)-2-oxo-3-(quinolin-8-ylsulfonylamino)-3H-1,4-benzodiazepin-1-yl]acetate

Drug info:

PubChemData

Smile

CC(=NC(CC1=CNC2=CC=CC=C21)C(=O)O)C3=CC=CS3

DOS

IR

Vibrations