Geometry & MOs

Info

ID:

1553

PubChem CID:

4682

Reduced:

N13O21C65H103 (1)

Stoich.:

A13B21C65D103 (1)

Weight, g/mol:

1401.739147

ΔHf, kcal/mol:

-993.78

Dipole, Da:

2.28

IP(EA), eV:

 -9.08(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[3-amino-2-[[2-[[2-[(2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl)amino]acetyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]-N'-[6-(1-hydroxyethyl)-3-[(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-9-methyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide

Drug info:

PubChemData

Smile

CCC(C)C=C(C)C=CC(C(C)(C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C(C)N)C(=O)NC(C(C)C(C)C(=O)N)C(=O)NC1C(OC(=O)C2CCCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC1=O)COC)C)C(C)O)C(C3=CC=C(C=C3)O)OC)C(C)C)O)O

DOS

IR

Vibrations