Geometry & MOs

Info

ID:	72515
PubChem CID:	48416259
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-108.72
Dipole, Da:	5.01
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=C(N=C3N2C=CC=C3)Cl)C(=O)OC

DOS

IR

Vibrations