Geometry & MOs

Info

ID:	81750
PubChem CID:	49855091
Reduced:	SO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	456.19436
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	5.11
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-(acetamidomethyl)-1-N-[4-methyl-5-[2-(1-methylcyclopropyl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CCC([C@H]2C(=O)N)(C)C)C3=CC(=NC=C3)C4(CC4)C

DOS

IR

Vibrations