Geometry & MOs

Info

ID:	194387
PubChem CID:	78527097
Reduced:	ClN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	423.135173
ΔH_f, kcal/mol:	-36.87
Dipole, Da:	3.98
IP(EA), eV:	-9.42(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CON=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations