Geometry & MOs

Info

ID:	169216
PubChem CID:	75076278
Reduced:	O2F3N3C22H26 (1)
Stoich.:	A2B3C3D22E26 (1)
Weight, g/mol:	403.218115
ΔH_f, kcal/mol:	-183.01
Dipole, Da:	7.56
IP(EA), eV:	-8.93(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10-[bis(prop-2-enyl)amino]-8-hydroxy-10-sulfanylidenedecyl] benzoate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCCCC2NC3=C(C(=O)C3=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations