Geometry & MOs

Info

ID:	134987
PubChem CID:	51793980
Reduced:	ClN2O2C27H37 (1)
Stoich.:	AB2C2D27E37 (1)
Weight, g/mol:	478.169306
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	2.11
IP(EA), eV:	-9.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-chloro-N-propanoylanilino)-N-[(4-methylphenyl)sulfonylmethyl]heptanamide

Drug info:

PubChemData

Smile

CCC(=O)N(C1=CC=CC=C1Cl)[C@H]([C@@H](C)C2=CC=CC=C2)C(=O)NC(C)(C)CC(C)(C)C

DOS

IR

Vibrations