Geometry & MOs

Info

ID:	128816
PubChem CID:	51059358
Reduced:	S2O4N5C22H25 (1)
Stoich.:	A2B4C5D22E25 (1)
Weight, g/mol:	372.006848
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	5.8
IP(EA), eV:	-8.76(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dichloro-N-(2-cyanophenyl)-3-methyl-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NNC(/C=C/C2=CC=CC=C2O)C3=C(N=C(S3)NNC(=O)C)C

DOS

IR

Vibrations