Geometry & MOs

Info

ID:	352027
PubChem CID:	127282945
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	8.14
IP(EA), eV:	-8.76(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)CC4=CN=CC=C4)O)C

DOS

IR

Vibrations