Geometry & MOs

Info

ID:	61918
PubChem CID:	26715858
Reduced:	SN3O5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	407.01168
ΔH_f, kcal/mol:	-153.8
Dipole, Da:	6.91
IP(EA), eV:	-9.0(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-3-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NNC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations