Geometry & MOs

Info

ID:	433557
PubChem CID:	135173697
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	472.214427
ΔH_f, kcal/mol:	-116.02
Dipole, Da:	3.43
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3C[C@@H](CN3C(=O)C(C)C(C)(C)C)O

DOS

IR

Vibrations