Geometry & MOs

Info

ID:

437094

PubChem CID:

135214735

Reduced:

O10N11C56H101 (1)

Stoich.:

A10B11C56D101 (1)

Weight, g/mol:

1058.746739

ΔHf, kcal/mol:

-598.86

Dipole, Da:

12.83

IP(EA), eV:

 -8.83(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[2-[[1-[[2-[[1-[[1-[[1-[[3-(cyclopropylamino)-3-oxopropyl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-2-methyl-1-oxopropan-2-yl]-propan-2-ylamino]-2-oxoethyl]amino]-1-oxodecan-2-yl]-1-hexanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)N1CCCC1C(=O)NC(CCC2CCCCC2)C(=O)NCC(=O)N(C(C)C)C(C)(C)C(=O)NCC(=O)N(C(C)C)C(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NCCN(C)C

DOS

IR

Vibrations