Geometry & MOs

Info

ID:

178796

PubChem CID:

76383742

Reduced:

N5O17C49H79 (1)

Stoich.:

A5B17C49D79 (1)

Weight, g/mol:

1022.603883

ΔHf, kcal/mol:

-694.07

Dipole, Da:

8.47

IP(EA), eV:

 -8.87(-1.77)

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-1,5,7,9,11,13,14-heptamethyl-4,17-dioxo-3,16,18-trioxa-13-azabicyclo[13.3.0]octadecan-6-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] N-[4-[(4-methoxybenzoyl)amino]butyl]carbamate

Drug info:

PubChemData

Smile

CCC1C2(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC3CC(C(C(O3)C)OC(=O)NCCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)(C)O)C)C)C)OC(=O)O2)C

DOS

IR

Vibrations