Geometry & MOs

Info

ID:

163263

PubChem CID:

57670983

Reduced:

SCl2N2O5H18C21 (1)

Stoich.:

AB2C2D5E18F21 (1)

Weight, g/mol:

489.356657

ΔHf, kcal/mol:

-108.2

Dipole, Da:

2.64

IP(EA), eV:

 -9.15(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-1-hydroxy-1-[(4S)-1-[(2S)-6-methylheptan-2-yl]-5-oxo-2-propan-2-ylimidazolidin-4-yl]-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)/C=C/2\CNC(=O)C3(CC3)N(C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations