Geometry & MOs

Info

ID:	137627
PubChem CID:	52236961
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	372.154135
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	6.97
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-methylcyclohexyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)[C@H]2CC(=O)N(C2)CCC3=CC=CC=C3

DOS

IR

Vibrations