Geometry & MOs

Info

ID:	141571
PubChem CID:	52894905
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	444.046604
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	3.52
IP(EA), eV:	-9.02(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

CCC[C@@H](C)C(=O)N[C@H](C)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations