Geometry & MOs

Info

ID:

170401

PubChem CID:

75228221

Reduced:

N5O15C52H83 (1)

Stoich.:

A5B15C52D83 (1)

Weight, g/mol:

1017.588567

ΔHf, kcal/mol:

-690.37

Dipole, Da:

5.27

IP(EA), eV:

 -8.9(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4-dihydroxy-10-methoxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] 3-[[2-oxo-2-(quinolin-5-ylamino)ethyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1C(C(C(C(=O)NC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)CCNCC(=O)NC3=CC4=CC=CC=C4N=C3)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)OC)C)C)O)(C)O

DOS

IR

Vibrations