Geometry & MOs

Info

ID:	173996
PubChem CID:	75710264
Reduced:	Cl2N2O2C25H40 (1)
Stoich.:	A2B2C2D25E40 (1)
Weight, g/mol:	506.190915
ΔH_f, kcal/mol:	-148.39
Dipole, Da:	3.31
IP(EA), eV:	-9.42(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-N-[1-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C(CC)CC)C(=O)NCCCC)C(=O)CC1=C(C(=CC=C1)Cl)Cl

DOS

IR

Vibrations