Geometry & MOs

Info

ID:	37730
PubChem CID:	8023772
Reduced:	SN2O3H22C23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-37.84
Dipole, Da:	9.55
IP(EA), eV:	-9.51(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-[2-(4-ethoxyphenyl)-2-oxoethoxy]-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1N(CC2=CC=CC=C2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations