Geometry & MOs

Info

ID:	236111
PubChem CID:	92711619
Reduced:	SN2O2C24H26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	376.160935
ΔH_f, kcal/mol:	-32.77
Dipole, Da:	5.22
IP(EA), eV:	-8.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-3-ethyl-2-methyl-N,7-diphenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations