Geometry & MOs

Info

ID:	443252
PubChem CID:	135258285
Reduced:	SC11H22 (1)
Stoich.:	AB11C22 (1)
Weight, g/mol:	456.219512
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	2.35
IP(EA), eV:	-8.47(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC/C=C/CSC(C)C

DOS

IR

Vibrations