Geometry & MOs

Info

ID:	228329
PubChem CID:	87563963
Reduced:	SO2C6H16 (1)
Stoich.:	AB2C6D16 (1)
Weight, g/mol:	626.263091
ΔH_f, kcal/mol:	-109.7
Dipole, Da:	1.01
IP(EA), eV:	-9.54(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-4,4-dimethyl-2-oxo-3-[(4-phenylmethoxyphenyl)methyl]pentan-3-yl] N,N-dideuteriocarbamate

Drug info:

PubChemData

Smile

CCOC(C)OCC.S

DOS

IR

Vibrations