Geometry & MOs

Info

ID:	185042
PubChem CID:	77245098
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	574.236225
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	4.05
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-6-oxobenzo[b][1,4]benzodiazepin-9-yl]phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)OC1CC1C2=CN=C(C=C2)NCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations