Geometry & MOs

Info

ID:	137879
PubChem CID:	52277808
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	362.145285
ΔH_f, kcal/mol:	-134.5
Dipole, Da:	5.29
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-benzyl-1,3-thiazol-4-yl)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=C(C=C1)NC(=O)NCCCOCC)C

DOS

IR

Vibrations