Geometry & MOs

Info

ID:	142088
PubChem CID:	52978583
Reduced:	Cl2O2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	22.46
Dipole, Da:	5.73
IP(EA), eV:	-9.61(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-phenyl-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CC(C2C1C=C(C(=NC3=CC=CC(=C3)C#N)O2)C(=O)N)Cl)Cl

DOS

IR

Vibrations