Geometry & MOs

Info

ID:	13917
PubChem CID:	400021
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	349.088498
ΔH_f, kcal/mol:	15.63
Dipole, Da:	3.94
IP(EA), eV:	-8.86(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)N=C3C(=CC4=CC=CC=C4O3)C(=O)N)C#N

DOS

IR

Vibrations