Geometry & MOs

Info

ID:

168473

PubChem CID:

74973980

Reduced:

NC13H17 (2)

Stoich.:

AB13C17 (2)

Weight, g/mol:

1719.810907

ΔHf, kcal/mol:

37.16

Dipole, Da:

1.31

IP(EA), eV:

 -7.88(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(2-chloro-1-hydroxyethyl)-21-[2-(cyclopropylamino)-2-oxoethyl]-18-[4-(2,2-dimethylpropanoyloxymethoxycarbonylamino)butyl]-15,24-bis[2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)ethyl]-9-ethylidene-12-(1-hydroxyethyl)-27-(3-hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CC1C2CC3=C(C1(CCN2CC4CC4)C)C=C(C=C3)NCCC5=CC=CC=C5

DOS

IR

Vibrations