Geometry & MOs

Info

ID:

309472

PubChem CID:

126546482

Reduced:

N2H37C52 (2)

Stoich.:

A2B37C52 (2)

Weight, g/mol:

550.018166

ΔHf, kcal/mol:

444.27

Dipole, Da:

1.31

IP(EA), eV:

 -7.88(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC=C(C=C8)C9=CC(=CC=C9)C1=CC=CC(=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations