Geometry & MOs

Info

ID:	252159
PubChem CID:	103109465
Reduced:	ClSO2N3C12H14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	305.098726
ΔH_f, kcal/mol:	-18.88
Dipole, Da:	2.34
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCC2=CSC=C2)CCl

DOS

IR

Vibrations