Geometry & MOs

Info

ID:	166105
PubChem CID:	74637865
Reduced:	O3N5C24H28 (1)
Stoich.:	A3B5C24D28 (1)
Weight, g/mol:	434.08962
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.243522
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[2-[2-(2-nitrophenoxy)acetyl]hydrazinyl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC1CCCCN1C2=NC3=[N+](C=C(C=C3)C)C(=O)C2=CNNC(=O)C4=CC=CC=C4O

DOS

IR

Vibrations