Geometry & MOs

Info

ID:	195113
PubChem CID:	78636561
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	398.025869
ΔH_f, kcal/mol:	-154.25
Dipole, Da:	6.85
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dichlorophenyl)ethyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)CSC1NCCC(=O)N1

DOS

IR

Vibrations