Geometry & MOs

Info

ID:	356240
PubChem CID:	127291313
Reduced:	O2S2N3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	395.17012
ΔH_f, kcal/mol:	-67.27
Dipole, Da:	2.28
IP(EA), eV:	-8.81(-0.32)
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)ethyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCCN3CCC4=C(C3)C=CS4

DOS

IR

Vibrations