Geometry & MOs

Info

ID:	236129
PubChem CID:	92711694
Reduced:	SN2O3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	3.75
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-3-ethyl-N-(2-ethylphenyl)-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)NC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations