Geometry & MOs

Info

ID:

173141

PubChem CID:

75603858

Reduced:

N2O14C43H78 (1)

Stoich.:

A2B14C43D78 (1)

Weight, g/mol:

860.560955

ΔHf, kcal/mol:

-706.53

Dipole, Da:

5.18

IP(EA), eV:

 -8.58(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-pentylcarbamate

Drug info:

PubChemData

Smile

CCCCNC(=O)OC1C(OC(CC1(C)OC)OC2C(C(C(CC(C(=O)C(C(C(C(OC(=O)C2C)CC)(C)O)O)C)C)(C)OC)OC3C(C(CC(O3)C)N(C)C)O)C)C

DOS

IR

Vibrations