Geometry & MOs

Info

ID:

215661

PubChem CID:

85085044

Reduced:

O13N16C52H84 (1)

Stoich.:

A13B16C52D84 (1)

Weight, g/mol:

1141.586669

ΔHf, kcal/mol:

-561.83

Dipole, Da:

12.83

IP(EA), eV:

 -9.22(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[28-[carboxy(hydroxy)methyl]-9-[3-(diaminomethylideneamino)propyl]-32-hydroxy-21-(1-hydroxyethyl)-3-(hydroxymethyl)-18-methyl-2,5,8,11,17,20,23,27,30-nonaoxo-25-tridecyl-26-oxa-1,4,7,10,16,19,22,29-octazatricyclo[29.3.0.012,16]tetratriacontan-6-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(CC(=O)O)C1CCCCC1)NC(=O)CN(CCN)C(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations