Geometry & MOs

Info

ID:	62590
PubChem CID:	26719904
Reduced:	SN4O5H14C18 (1)
Stoich.:	AB4C5D14E18 (1)
Weight, g/mol:	483.078633
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	6.46
IP(EA), eV:	-9.36(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(O2)C(=O)N(C=N3)CC(=O)NC4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations