Geometry & MOs

Info

ID:	280063
PubChem CID:	103846650
Reduced:	SO2N3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	34.61
Dipole, Da:	7.85
IP(EA), eV:	-8.67(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=NC=C(S2)C)[N+](=O)[O-]

DOS

IR

Vibrations