Geometry & MOs

Info

ID:	183018
PubChem CID:	76968820
Reduced:	ClNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	362.037958
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	2.3
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylpent-4-ynoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)CC[C@@H]2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

DOS

IR

Vibrations