Geometry & MOs

Info

ID:	27847
PubChem CID:	823851
Reduced:	SN2O2H14C18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	299.025229
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	2.96
IP(EA), eV:	-8.65(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-4-phenylsulfanylchromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC=CC=C3O

DOS

IR

Vibrations