Geometry & MOs

Info

ID:	391997
PubChem CID:	135011811
Reduced:	O2C11H20 (1)
Stoich.:	A2B11C20 (1)
Weight, g/mol:	504.138879
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	3.33
IP(EA), eV:	-9.42(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3S)-2,3-dihydroxy-4-[(4-methylphenyl)sulfonyl-prop-2-ynylamino]butyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC1(CC2(CCCO2)CO1)CC

DOS

IR

Vibrations