Geometry & MOs

Info

ID:	174111
PubChem CID:	75725233
Reduced:	ClN2O3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	480.148571
ΔH_f, kcal/mol:	-160.09
Dipole, Da:	6.67
IP(EA), eV:	-9.81(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-(2-hydroxyacetyl)anilino)-N-[(4-methylphenyl)sulfonylmethyl]heptanamide

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NC(C)(C)C)N(C1=CC(=CC=C1)Cl)C(=O)CO

DOS

IR

Vibrations