Geometry & MOs

Info

ID:	32460
PubChem CID:	7837023
Reduced:	OS2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	47.73
Dipole, Da:	5.25
IP(EA), eV:	-8.73(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylpyrazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N1C(=CC=N1)NC(=O)[C@H](C)SC2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations