Geometry & MOs

Info

ID:	27038
PubChem CID:	813294
Reduced:	FSO2N3C16H18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	5.47
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC(=O)NC1=NC=CS1)C(=O)C2=CC(=CC=C2)F

DOS

IR

Vibrations