Geometry & MOs

Info

ID:

427403

PubChem CID:

135158381

Reduced:

FNO4C29H38 (1)

Stoich.:

ABC4D29E38 (1)

Weight, g/mol:

1367.731166

ΔHf, kcal/mol:

-229.7

Dipole, Da:

9.8

IP(EA), eV:

 -9.41(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[[(2R)-5-(carbamoylamino)-2-[[(2R)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[[(1R,3R)-7-hydroxy-3-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]carbamate

Drug info:

PubChemData

Smile

CCC1[C@H](CN([C@@H]1C(=O)O)C(=O)C2=C(C=C(C(=C2)C3CC3)OCC45CC6CC(C4)CC(C6)C5)F)C

DOS

IR

Vibrations