Geometry & MOs

Info

ID:	413923
PubChem CID:	135086874
Reduced:	ClSO2N4H13C16 (1)
Stoich.:	ABC2D4E13F16 (1)
Weight, g/mol:	410.105369
ΔH_f, kcal/mol:	31.74
Dipole, Da:	3.72
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylindol-3-yl)butan-2-ylideneamino] 2,3,4,5,6-pentafluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/C(=[N+]=[N-])C3=C(N2C)C=CC(=C3)Cl

DOS

IR

Vibrations