Geometry & MOs

Info

ID:	148933
PubChem CID:	53788603
Reduced:	S2N7O7C21H23 (1)
Stoich.:	A2B7C7D21E23 (1)
Weight, g/mol:	296.077262
ΔH_f, kcal/mol:	-136.94
Dipole, Da:	10.39
IP(EA), eV:	-9.22(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-4-[[3-(trifluoromethyl)phenyl]hydrazinylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C1=CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)C(C4=CSC(=N4)N)N=O)SC2)C(=O)O)C5CNCC5O

DOS

IR

Vibrations