Geometry & MOs

Info

ID:	425383
PubChem CID:	135126128
Reduced:	SF2O3N5C18H19 (1)
Stoich.:	AB2C3D5E18F19 (1)
Weight, g/mol:	360.125612
ΔH_f, kcal/mol:	-116.83
Dipole, Da:	7.21
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-amino-2-methyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)N(C(=N1)N)C)C2=C(C=CC(=C2)/C=C(/C3=CN=C(C=N3)OC)\F)F

DOS

IR

Vibrations