Geometry & MOs

Info

ID:

219950

PubChem CID:

85165078

Reduced:

S2N3O6C31H47 (1)

Stoich.:

A2B3C6D31E47 (1)

Weight, g/mol:

621.29354

ΔHf, kcal/mol:

-272.03

Dipole, Da:

4.76

IP(EA), eV:

 -8.31(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-trimethylsilylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-[[1-oxo-1-[[3-oxo-3-(2-trimethylsilylethoxy)propyl]amino]-3-sulfanylpropan-2-yl]amino]pentanoate

Drug info:

PubChemData

Smile

CC1(N(C(CS1)C=CCN2CC(CC2C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3OC)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations