Geometry & MOs

Info

ID:	13918
PubChem CID:	400022
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	379.099063
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-1.63)
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]-6-methoxychromene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=NC3=C(C4=C(S3)CCCC4)C#N)C(=C2)C(=O)N

DOS

IR

Vibrations