Geometry & MOs

Info

ID:	356401
PubChem CID:	127291474
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	395.17012
ΔH_f, kcal/mol:	-83.31
Dipole, Da:	1.1
IP(EA), eV:	-8.71(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations