Geometry & MOs

Info

ID:

168607

PubChem CID:

74994239

Reduced:

S2N5O7C33H51 (1)

Stoich.:

A2B5C7D33E51 (1)

Weight, g/mol:

909.47756

ΔHf, kcal/mol:

-300.88

Dipole, Da:

6.1

IP(EA), eV:

 -8.65(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[26-[(4-benzyl-2,6-dimethylpiperidin-1-yl)iminomethyl]-2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCC(CC(C(CC1CCCCC1)NC(=O)C(CC2=CSC(=C2)N)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)N4CCOCC4)O)O

DOS

IR

Vibrations