Geometry & MOs

Info

ID:	196908
PubChem CID:	78894550
Reduced:	BrN2S2O3C17H19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	414.057169
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	6.94
IP(EA), eV:	-9.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonamido)ethyl]-4-(3,4-dichlorophenyl)butanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCCNS(=O)(=O)C1=CC=CC=C1)SC2=CC=C(C=C2)Br

DOS

IR

Vibrations