Geometry & MOs

Info

ID:	150565
PubChem CID:	53790258
Reduced:	SN2O6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	463.00468
ΔH_f, kcal/mol:	-126.54
Dipole, Da:	4.2
IP(EA), eV:	-8.55(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[2-[5-(2-chlorophenyl)-6-nitro-3H-1,4-benzodiazepin-2-yl]hydrazinyl]propanal

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(=C(N=C1CSC)C)C(=O)OCC=C)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations