Geometry & MOs

Info

ID:	236134
PubChem CID:	92711702
Reduced:	SN2O4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	464.176979
ΔH_f, kcal/mol:	-105.65
Dipole, Da:	5.31
IP(EA), eV:	-8.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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