Geometry & MOs

Info

ID:

215764

PubChem CID:

85085218

Reduced:

O14N19C72H129 (1)

Stoich.:

A14B19C72D129 (1)

Weight, g/mol:

1489.808159

ΔHf, kcal/mol:

-762.53

Dipole, Da:

10.8

IP(EA), eV:

 -9.1(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[13-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-1-oxa-6-azacyclopentadec-6-yl]propylamino]-2-oxoethyl]-2-[[2-[[2-[[2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)N

DOS

IR

Vibrations