Geometry & MOs

Info

ID:	191982
PubChem CID:	78209129
Reduced:	SN3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	58.71
Dipole, Da:	10.06
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(C(C(=S)N2)C#N)C3=CN=CC=C3

DOS

IR

Vibrations