Geometry & MOs

Info

ID:	285156
PubChem CID:	104098402
Reduced:	SO2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	317.029269
ΔH_f, kcal/mol:	104.87
Dipole, Da:	6.13
IP(EA), eV:	-9.33(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methyl]-3-(1,3-thiazol-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C=NN=C2)NCC3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations