Geometry & MOs

Info

ID:	140492
PubChem CID:	52709501
Reduced:	OSN6H22C24 (1)
Stoich.:	ABC6D22E24 (1)
Weight, g/mol:	355.218567
ΔH_f, kcal/mol:	134.09
Dipole, Da:	7.84
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-fluorophenyl)methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-prop-2-enylazanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)S[C@H](C)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations