Geometry & MOs

Info

ID:	261618
PubChem CID:	103242313
Reduced:	SN3O3C10H11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	271.099063
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	5.4
IP(EA), eV:	-9.39(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations