Geometry & MOs

Info

ID:	194751
PubChem CID:	78585707
Reduced:	BrFNO3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	366.98367
ΔH_f, kcal/mol:	-108.12
Dipole, Da:	3.69
IP(EA), eV:	-9.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dichlorophenyl)sulfonyl-3-(4-methoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)COC(=O)C=CC2=CC=C(C=C2)Br

DOS

IR

Vibrations