Geometry & MOs

Info

ID:	135017
PubChem CID:	51798517
Reduced:	ClN2O2C25H33 (1)
Stoich.:	AB2C2D25E33 (1)
Weight, g/mol:	502.132921
ΔH_f, kcal/mol:	-88.49
Dipole, Da:	4.63
IP(EA), eV:	-9.35(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1S)-1-(furan-2-yl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(C1=CC(=CC=C1)Cl)[C@@H]([C@H](C)C2=CC=CC=C2)C(=O)NCCCC

DOS

IR

Vibrations