Geometry & MOs

Info

ID:

223217

PubChem CID:

85334700

Reduced:

SN7O8C30H43 (2)

Stoich.:

AB7C8D30E43 (2)

Weight, g/mol:

1323.878148

ΔHf, kcal/mol:

-657.32

Dipole, Da:

13.14

IP(EA), eV:

 -8.47(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

33-[5-(3,4-dimethoxyphenyl)-1-hydroxy-2-methylpent-4-enyl]-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C(CCSCC(=O)NC(CC(=O)NC(CCN)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)N)O

DOS

IR

Vibrations