Geometry & MOs

Info

ID:	396879
PubChem CID:	135029382
Reduced:	NSO4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	365.16608
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	5.91
IP(EA), eV:	-8.91(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]-3-(2,2,3-trimethylcyclopent-3-en-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(CC2=CC=CC3=CC=CC=C32)O

DOS

IR

Vibrations