Geometry & MOs

Info

ID:	268505
PubChem CID:	103599672
Reduced:	SN3O3C22H35 (1)
Stoich.:	AB3C3D22E35 (1)
Weight, g/mol:	422.235162
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	4.81
IP(EA), eV:	-8.8(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylsulfamoyl)phenyl]-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN(C)CC1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations