Geometry & MOs

Info

ID:	189991
PubChem CID:	77937098
Reduced:	FIN3O4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	443.132648
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	3.84
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-difluoroanilino)-1,5-dimethyl-6-oxopyridin-3-yl]-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide

Drug info:

PubChemData

Smile

COC1CC(=O)NC(C1[N+](=O)[O-])NC2=C(C=C(C=C2)I)F

DOS

IR

Vibrations