Geometry & MOs

Info

ID:	236109
PubChem CID:	92711616
Reduced:	OSN2C22H28 (1)
Stoich.:	ABC2D22E28 (1)
Weight, g/mol:	406.171499
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	4.29
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)N1CCC2=C([C@H]1C3=CC=CC=C3)SC4=C2CCCC4

DOS

IR

Vibrations