Geometry & MOs

Info

ID:

191142

PubChem CID:

78110384

Reduced:

N4O4C27H31 (2)

Stoich.:

A4B4C27D31 (2)

Weight, g/mol:

962.546368

ΔHf, kcal/mol:

-224.87

Dipole, Da:

6.52

IP(EA), eV:

 -8.53(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[8-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-5,7,9,11,13,14-hexamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-2,4,4-trimethyloxan-3-yl] N-[3-(2-methoxyphenyl)prop-2-enoylamino]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC4=C(C=C3)C=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C7=C8COCCCOC9CC(C(=N7)N8)N(C9)C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations