Geometry & MOs

Info

ID:

168675

PubChem CID:

75000860

Reduced:

N5O7C30H33 (1)

Stoich.:

A5B7C30D33 (1)

Weight, g/mol:

985.526376

ΔHf, kcal/mol:

-176.35

Dipole, Da:

16.02

IP(EA), eV:

 -9.32(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1,3-diazinan-1-yl]oxolan-2-yl]-3-hydroxy-2-[3-[2-(phenylmethoxycarbonylamino)propanoylamino]propylamino]propanoate

Drug info:

PubChemData

Smile

CCCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2C=CC3=NC(=NC(=O)C3=C2)C

DOS

IR

Vibrations