Geometry & MOs

Info

ID:	124728
PubChem CID:	50894161
Reduced:	FSCl2N2O5H11C15 (1)
Stoich.:	ABC2D2E5F11G15 (1)
Weight, g/mol:	401.984398
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	9.55
IP(EA), eV:	-10.44(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-2-chloro-5-nitroanilino]propanoyl chloride

Drug info:

PubChemData

Smile

CC(C(=O)Cl)N(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations