Geometry & MOs

Info

ID:

435854

PubChem CID:

135192573

Reduced:

N4O7C20H30 (1)

Stoich.:

A4B7C20D30 (1)

Weight, g/mol:

1105.517214

ΔHf, kcal/mol:

-317.78

Dipole, Da:

9.23

IP(EA), eV:

 -9.87(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[1-[[6-[2-[[(1E,11S,22S)-22-ethyl-6-fluoro-22-hydroxy-7,16-dimethyl-17,21-dioxo-20-oxa-3-azahexacyclo[13.9.1.14,8.02,13.018,23.012,26]hexacosa-1(24),2,4,6,8(26),12-hexaen-11-yl]amino]-2-oxoethoxy]-2-oxohexyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-hydroxyethyl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=CC=C1)C(NCC(=O)O)O

DOS

IR

Vibrations