Geometry & MOs

Info

ID:	236115
PubChem CID:	92711640
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	420.187149
ΔH_f, kcal/mol:	-67.63
Dipole, Da:	3.67
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(4-ethoxyphenyl)-3-ethyl-2-methyl-7-phenyl-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=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations