Geometry & MOs

Info

ID:	309481
PubChem CID:	126546545
Reduced:	IH15C20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	566.013081
ΔH_f, kcal/mol:	87.3
Dipole, Da:	1.24
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(R)-amino-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]methyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C(=CC=C3)I)C4=CC=CC=C4

DOS

IR

Vibrations