Geometry & MOs

Info

ID:	231615
PubChem CID:	87574310
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	359.062757
ΔH_f, kcal/mol:	-31.61
Dipole, Da:	5.24
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-fluoro-4-methoxy-1-nitro-5-phenylcyclohexa-2,4-dien-1-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC(=O)SOC1=CC=CC(=C1C2=CC=C(C=C2)N)N

DOS

IR

Vibrations