Geometry & MOs

Info

ID:	395135
PubChem CID:	135024725
Reduced:	NSO2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	340.113316
ΔH_f, kcal/mol:	-54.19
Dipole, Da:	6.25
IP(EA), eV:	-9.25(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(Z)-2-methylsulfanyl-2-phenylethenyl]phenyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCCC(=C)[C@@]1(CCN([C@@H]1C=C)S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations