Geometry & MOs

Info

ID:	36497
PubChem CID:	8007658
Reduced:	Cl2O2N3H11C13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	378.179087
ΔH_f, kcal/mol:	-7.6
Dipole, Da:	7.09
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=C1C=CC(=O)C=C1O)NNC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations