Geometry & MOs

Info

ID:	236044
PubChem CID:	92711414
Reduced:	SN2O3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	390.176585
ΔH_f, kcal/mol:	-85.19
Dipole, Da:	7.82
IP(EA), eV:	-8.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7R)-3-ethyl-2-methyl-7-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)C

DOS

IR

Vibrations