Geometry & MOs

Info

ID:	62525
PubChem CID:	26719834
Reduced:	NOSH8C9 (2)
Stoich.:	ABCD8E9 (2)
Weight, g/mol:	297.08235
ΔH_f, kcal/mol:	8.68
Dipole, Da:	6.11
IP(EA), eV:	-8.4(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylsulfanylphenyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

DOS

IR

Vibrations