Geometry & MOs

Info

ID:	338677
PubChem CID:	127259688
Reduced:	SCl2N3O3H5C10 (1)
Stoich.:	AB2C3D3E5F10 (1)
Weight, g/mol:	244.017018
ΔH_f, kcal/mol:	14.93
Dipole, Da:	3.24
IP(EA), eV:	-9.66(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3,5-dichloro-N-prop-1-en-2-ylbenzamide

Drug info:

PubChemData

Smile

C1=CSC(=N1)NC(=O)C2=C(C(=CC(=C2)Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations