Geometry & MOs

Info

ID:	32459
PubChem CID:	7836439
Reduced:	ClSN2O4H17C19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	386.123504
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	2.62
IP(EA), eV:	-8.8(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations