Geometry & MOs

Info

ID:	441553
PubChem CID:	135236126
Reduced:	SF2O3N5H19C25 (1)
Stoich.:	AB2C3D5E19F25 (1)
Weight, g/mol:	442.091118
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	9.64
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4-difluorophenyl)pyridin-2-yl]-6-(methanesulfonamido)indole-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=CC(=CC(=C3)C4=CC=NN4)C5=C(C=C(C=C5)F)F)C(=O)N

DOS

IR

Vibrations