Geometry & MOs

Info

ID:	404567
PubChem CID:	135066847
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-144.13
Dipole, Da:	6.38
IP(EA), eV:	-8.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)OC)CC(=O)N=S(=O)(C)C2=CC=CC=N2

DOS

IR

Vibrations