Geometry & MOs

Info

ID:	172515
PubChem CID:	75519487
Reduced:	Cl2O2N4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	307.062677
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	5.59
IP(EA), eV:	-9.18(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[methyl(1,3-thiazol-2-ylmethyl)amino]-4-nitrobenzoate

Drug info:

PubChemData

Smile

COCCNC(=O)CNC1=NC2=CC(=C(C=C2N=C1)Cl)Cl

DOS

IR

Vibrations