Geometry & MOs

Info

ID:	320552
PubChem CID:	126661724
Reduced:	FNOC22H24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	365.181336
ΔH_f, kcal/mol:	-50.8
Dipole, Da:	5.58
IP(EA), eV:	-9.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-N-(2-methylphenyl)-3-[1-(4-methyl-3-propylphenyl)ethenylsulfanyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC(=C2C)/C=C(\C)/C(=O)NCC(=C)C)F

DOS

IR

Vibrations