Geometry & MOs

Info

ID:	175281
PubChem CID:	75878599
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	397.083373
ΔH_f, kcal/mol:	3.57
Dipole, Da:	3.96
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[methyl(2,2,2-trifluoroethyl)amino]-[4-(2-phenylethenylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC(=C2)CC(=O)NC3=CC=CC(=C3)CN4C(=O)N5C=CC=CC5=N4

DOS

IR

Vibrations