Geometry & MOs

Info

ID:	313187
PubChem CID:	126612429
Reduced:	ClO2F3N4H16C19 (1)
Stoich.:	AB2C3D4E16F19 (1)
Weight, g/mol:	447.026283
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	7.12
IP(EA), eV:	-9.36(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-[(8-chloro-3-fluoronaphthalen-2-yl)methyl]-3-methylnaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CC1C(CN2C=NC=N2)(C3=C(N=C(C=C3)OC4=CC=C(C=C4)Cl)C(F)(F)F)O

DOS

IR

Vibrations