Geometry & MOs

Info

ID:	132321
PubChem CID:	51342617
Reduced:	SN2O3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	472.089342
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	6.24
IP(EA), eV:	-9.3(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CC(=O)N2CCC(CC2)CC3=CC=CC=C3)S(=O)(=O)C)C

DOS

IR

Vibrations