Geometry & MOs

Info

ID:	435049
PubChem CID:	135178725
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	672.09965
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	4.81
IP(EA), eV:	-8.02(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-cyanoimino-8-[3,4-difluoro-5-(trifluoromethyl)phenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]indeno[2,1-b]fluoren-12-ylidene]cyanamide

Drug info:

PubChemData

Smile

CC(=C/C=C(\C=C)/NCC1=C2CN(C(=O)C2=CS1)C(CCC=O)C(=O)NC)C

DOS

IR

Vibrations