Geometry & MOs

Info

ID:	72521
PubChem CID:	48416265
Reduced:	SN2O5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-174.05
Dipole, Da:	4.17
IP(EA), eV:	-8.63(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CN(C)C(=O)C2=CC=CS2)C(=O)OC

DOS

IR

Vibrations