Geometry & MOs

Info

ID:	285207
PubChem CID:	104098662
Reduced:	ClSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	328.028456
ΔH_f, kcal/mol:	29.85
Dipole, Da:	6.03
IP(EA), eV:	-8.74(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4,5-dimethoxy-N-[(5-nitrothiophen-2-yl)methyl]aniline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations