Geometry & MOs

Info

ID:	433890
PubChem CID:	135174035
Reduced:	NPO4F5H21C23 (1)
Stoich.:	ABC4D5E21F23 (1)
Weight, g/mol:	308.13472
ΔH_f, kcal/mol:	-383.84
Dipole, Da:	2.57
IP(EA), eV:	-9.45(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1Z)-1-[(3Z)-5-ethenyl-3-prop-2-enylidenepyridin-2-ylidene]ethyl]amino]-2-methylbenzenethiol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC[C@H](C)NP(=O)(OC2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F

DOS

IR

Vibrations