Geometry & MOs

Info

ID:

435868

PubChem CID:

135192619

Reduced:

NSO5C8H15 (1)

Stoich.:

ABC5D8E15 (1)

Weight, g/mol:

995.418897

ΔHf, kcal/mol:

-201.29

Dipole, Da:

6.84

IP(EA), eV:

-10.59(-0.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-acetamido-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)ONCS(=O)(=O)O

DOS

IR

Vibrations