Geometry & MOs

Info

ID:	196907
PubChem CID:	78894546
Reduced:	SCl2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	442.00205
ΔH_f, kcal/mol:	80.74
Dipole, Da:	6.58
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonamido)ethyl]-2-(4-bromophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C(=NS3)Cl)C#N

DOS

IR

Vibrations