Geometry & MOs

Info

ID:

180794

PubChem CID:

76686834

Reduced:

O7N10C42H80 (1)

Stoich.:

A7B10C42D80 (1)

Weight, g/mol:

1055.637917

ΔHf, kcal/mol:

-400.55

Dipole, Da:

7.79

IP(EA), eV:

 -9.33(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl)carbamoyl]-3-[[5-[[8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-5-(2-methylbutanoylamino)-4-oxooctanoyl]amino]-6-hydroxy-2-methyl-4-oxohexanoyl]amino]-7-methyl-4-oxononanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)CC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)CC

DOS

IR

Vibrations