Geometry & MOs

Info

ID:	134699
PubChem CID:	51740686
Reduced:	SN2O4C26H40 (1)
Stoich.:	AB2C4D26E40 (1)
Weight, g/mol:	478.286529
ΔH_f, kcal/mol:	-179.32
Dipole, Da:	4.82
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[cyclohexyl(pentanoyl)amino]-3-ethyl-N-[(4-methylphenyl)sulfonylmethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(C1CCCCC1)[C@@H](/C=C/CCC)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations