Geometry & MOs

Info

ID:

311144

PubChem CID:

126589623

Reduced:

O4N5C15H21 (1)

Stoich.:

A4B5C15D21 (1)

Weight, g/mol:

1254.597255

ΔHf, kcal/mol:

-159.25

Dipole, Da:

1.86

IP(EA), eV:

-9.61(0.07)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[2-[[2-[[2-[[1-[[2-[[4-amino-2-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-9-oxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-22-yl]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-hydroxyethyl]amino]-2-hydroxyethyl]-6-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)N)NC(=O)CNC(=O)CN

DOS

IR

Vibrations