Geometry & MOs

Info

ID:	236137
PubChem CID:	92711705
Reduced:	SN2O2C25H28 (1)
Stoich.:	AB2C2D25E28 (1)
Weight, g/mol:	420.187149
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	6.06
IP(EA), eV:	-8.62(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC2=C1CCN([C@@H]2C3=CC=C(C=C3)OC)C(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations