Geometry & MOs

Info

ID:

191320

PubChem CID:

78131193

Reduced:

SN4O5C23H23 (1)

Stoich.:

AB4C5D23E23 (1)

Weight, g/mol:

1875.312495

ΔHf, kcal/mol:

-157.11

Dipole, Da:

7.47

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.058633

Charge, e:

0

Chem-info

IUPAC name:

N-[6-amino-1-[[1-[[1-[[6-amino-1-[[1-[[1-[[5-amino-1-[[6-amino-1-[[1-[[1-[[6-amino-1-[[1-[[6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]-2-[(2-amino-4-methylpentanoyl)amino]pentanediamide

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC=CC2C(=O)N(C1=O)CCCC3CN(C(=O)O3)C4=CC5=C(C=C4)SCC(=O)N5

DOS

IR

Vibrations