Geometry & MOs

Info

ID:

223024

PubChem CID:

85334028

Reduced:

N12O14C41H64 (1)

Stoich.:

A12B14C41D64 (1)

Weight, g/mol:

949.414125

ΔHf, kcal/mol:

-658.45

Dipole, Da:

3.7

IP(EA), eV:

 -9.64(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[1-[[2-[[1-[[1-[[1-(carboxymethylamino)-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(C)N

DOS

IR

Vibrations