Geometry & MOs

Info

ID:

181942

PubChem CID:

76817037

Reduced:

N5O14C55H91 (1)

Stoich.:

A5B14C55D91 (1)

Weight, g/mol:

1057.639832

ΔHf, kcal/mol:

-739.3

Dipole, Da:

8.62

IP(EA), eV:

 -8.99(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-aminobutyl)-N-[5-[(5-carbamoyl-6-methyl-3-oxo-1-phenyloctan-2-yl)carbamoyl]-1-(1H-indol-3-yl)-7-methylsulfanyl-3-oxoheptan-2-yl]-8-(diaminomethylideneamino)-5-[[5-methyl-2-(2-methylpropyl)-4-oxohexanoyl]amino]-4-oxooctanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)CC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)CC(CO)C(=O)NC(C(C)O)C(=O)CC(CC(=O)O)C(=O)NC

DOS

IR

Vibrations