Geometry & MOs

Info

ID:

223142

PubChem CID:

85334583

Reduced:

O16N18C53H82 (1)

Stoich.:

A16B18C53D82 (1)

Weight, g/mol:

1226.700756

ΔHf, kcal/mol:

-694.8

Dipole, Da:

7.31

IP(EA), eV:

 -8.55(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[4-(dimethylamino)-2-[[2-ethyl-3,4-dihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,6,10,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyloxan-3-yl]oxy-5-oxopentyl] 9-chloro-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCCC4C(=O)NCC(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations