Geometry & MOs

Info

ID:

315118

PubChem CID:

126624499

Reduced:

N3O3C13H21 (2)

Stoich.:

A3B3C13D21 (2)

Weight, g/mol:

1423.869039

ΔHf, kcal/mol:

-288.24

Dipole, Da:

8.37

IP(EA), eV:

 -9.05(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[2-[2-[2-[(7-hydrazinyl-7-oxoheptanoyl)amino]ethoxy]ethoxy]acetyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)COC(=O)C)NC(=O)CCCCNC

DOS

IR

Vibrations