Geometry & MOs

Info

ID:	344009
PubChem CID:	127267185
Reduced:	ClN2O4C16H23 (1)
Stoich.:	AB2C4D16E23 (1)
Weight, g/mol:	349.049919
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	5.61
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-methyl-4-nitrophenyl)sulfonyl-3-methylbutanehydrazide

Drug info:

PubChemData

Smile

CCN(CCO)C(=O)NC1=C(C=CC(=C1)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations