Geometry & MOs

Info

ID:	252125
PubChem CID:	103109303
Reduced:	ClSO2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	306.078662
ΔH_f, kcal/mol:	-53.46
Dipole, Da:	3.74
IP(EA), eV:	-9.08(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-[(2-methyl-3-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCCSC)CCl

DOS

IR

Vibrations