Geometry & MOs

Info

ID:	34507
PubChem CID:	7978589
Reduced:	Cl2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	360.150764
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	5.91
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations