Geometry & MOs

Info

ID:	228855
PubChem CID:	87565979
Reduced:	SN5O5F6H21C26 (1)
Stoich.:	AB5C5D6E21F26 (1)
Weight, g/mol:	282.03829
ΔH_f, kcal/mol:	-437.22
Dipole, Da:	7.27
IP(EA), eV:	-9.42(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-amino-6-chloro-1-[(Z)-hydroxyiminomethyl]cyclohexa-2,4-dien-1-yl]-2,2,3-trifluoropropan-1-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1CC2=CC(=NC=C2)NC(=O)C3=CC=CC=N3)C4=CC=C(C=C4)SC(F)(F)F)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations