Geometry & MOs

Info

ID:	135055
PubChem CID:	51805952
Reduced:	N2O4C25H42 (1)
Stoich.:	A2B4C25D42 (1)
Weight, g/mol:	530.245058
ΔH_f, kcal/mol:	-197.14
Dipole, Da:	6.68
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(1,3-benzodioxol-5-yl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-2-ethyl-N-propylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)C(=O)N(CCC)[C@H](C1=CC(=C(C=C1)OC)OC)C(=O)NCCCC

DOS

IR

Vibrations