Geometry & MOs

Info

ID:	427220
PubChem CID:	135156242
Reduced:	FCl2N6H21C27 (1)
Stoich.:	AB2C6D21E27 (1)
Weight, g/mol:	501.053703
ΔH_f, kcal/mol:	90.49
Dipole, Da:	4.1
IP(EA), eV:	-8.39(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C3=NC=NC4=C3N=C(N4C5=CC=C(C=C5)Cl)C6=CC=CC=C6Cl

DOS

IR

Vibrations