Geometry & MOs

Info

ID:	236135
PubChem CID:	92711703
Reduced:	SN2O4C26H28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	464.176979
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	6.32
IP(EA), eV:	-8.23(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-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=CC5=C(C=C4)OCCO5)C

DOS

IR

Vibrations