Geometry & MOs

Info

ID:	151880
PubChem CID:	56310704
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	425.123169
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	5.74
IP(EA), eV:	-7.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations