Geometry & MOs

Info

ID:	356207
PubChem CID:	127291243
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-66.41
Dipole, Da:	2.37
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CSCN1C(=O)C2CCC2)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations