Geometry & MOs

Info

ID:	350392
PubChem CID:	127277732
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-82.02
Dipole, Da:	0.95
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations