Geometry & MOs

Info

ID:	47176
PubChem CID:	10530307
Reduced:	SN2O4C31H36 (1)
Stoich.:	AB2C4D31E36 (1)
Weight, g/mol:	535.180227
ΔH_f, kcal/mol:	-73.21
Dipole, Da:	3.32
IP(EA), eV:	-8.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-2-tert-butyl-6-[[[(1R)-2-hydroxy-1,2,2-triphenylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one;difluorotitanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)OC)O)(C#N)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations