Geometry & MOs

Info

ID:	356918
PubChem CID:	127292526
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	393.256232
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	1.38
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(4-ethylpiperazin-1-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)N(CC2CCOC2)C3CC3

DOS

IR

Vibrations