Geometry & MOs

Info

ID:	236133
PubChem CID:	92711701
Reduced:	SN2O4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	466.192629
ΔH_f, kcal/mol:	-106.96
Dipole, Da:	8.05
IP(EA), eV:	-8.55(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-N-(2,4-dimethoxyphenyl)-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)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations