Geometry & MOs

Info

ID:	195850
PubChem CID:	78743198
Reduced:	O2N3C27H33 (1)
Stoich.:	A2B3C27D33 (1)
Weight, g/mol:	357.103479
ΔH_f, kcal/mol:	33.55
Dipole, Da:	18.58
IP(EA), eV:	-6.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylsulfanylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

DOS

IR

Vibrations