Geometry & MOs

Info

ID:	137518
PubChem CID:	52219034
Reduced:	N3O4C19H29 (1)
Stoich.:	A3B4C19D29 (1)
Weight, g/mol:	385.169822
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	4.54
IP(EA), eV:	-8.91(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NCCN3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations