Geometry & MOs

Info

ID:	356203
PubChem CID:	127291239
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-74.58
Dipole, Da:	0.95
IP(EA), eV:	-8.92(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCCN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations