Geometry & MOs

Info

ID:	169300
PubChem CID:	75086309
Reduced:	ClSO2N5H16C18 (1)
Stoich.:	ABC2D5E16F18 (1)
Weight, g/mol:	339.131802
ΔH_f, kcal/mol:	50.51
Dipole, Da:	5.01
IP(EA), eV:	-9.28(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-ethoxycarbonyloxy-3-methoxyphenyl)prop-2-enoxyamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NN=C(N1N=CC2=CC=C(C=C2)Cl)C3=CC=NC=C3

DOS

IR

Vibrations