Geometry & MOs

Info

ID:

313417

PubChem CID:

126614601

Reduced:

ClN3O4H24C25 (1)

Stoich.:

AB3C4D24E25 (1)

Weight, g/mol:

1932.963929

ΔHf, kcal/mol:

-12.29

Dipole, Da:

4.15

IP(EA), eV:

-8.13(-1.69)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl 3-[(1S)-1-acetamido-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-5-[[N-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidoyl]amino]pentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-6-[[N-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonyl]carbamimidoyl]amino]hexan-2-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]-2-oxoethyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CN3[C@@H](CC4=CC=CC=C43)CN2)OCC5=CC(=CC(=C5)[N+](=O)[O-])CCl

DOS

IR

Vibrations