Geometry & MOs

Info

ID:

223294

PubChem CID:

85334813

Reduced:

SN19O21C63H105 (1)

Stoich.:

AB19C21D63E105 (1)

Weight, g/mol:

1496.71157

ΔHf, kcal/mol:

-1016.92

Dipole, Da:

13.88

IP(EA), eV:

 -8.78(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[5-amino-1-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[5-amino-1-[[1-carboxy-4-(diaminomethylideneamino)butyl]amino]-1,5-dioxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)CN

DOS

IR

Vibrations