Geometry & MOs

Info

ID:	140419
PubChem CID:	52694570
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-128.43
Dipole, Da:	7.93
IP(EA), eV:	-8.97(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-butanoyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations