Geometry & MOs

Info

ID:

186868

PubChem CID:

77499038

Reduced:

SO2N3C12H21 (1)

Stoich.:

AB2C3D12E21 (1)

Weight, g/mol:

770.329985

ΔHf, kcal/mol:

-72.31

Dipole, Da:

6.01

IP(EA), eV:

 -9.28(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[3-(methoxycarbonylamino)-4-(2-trimethylsilylethoxymethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenyl-3-(2-trimethylsilylethoxymethoxy)butan-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CNCCNC(C(C)C)C(=O)O

DOS

IR

Vibrations