Geometry & MOs

Info

ID:

221599

PubChem CID:

85285454

Reduced:

N5O5C29H29 (1)

Stoich.:

A5B5C29D29 (1)

Weight, g/mol:

527.251917

ΔHf, kcal/mol:

-84.59

Dipole, Da:

3.73

IP(EA), eV:

 -9.41(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5,9,18-trihydroxy-2,6,10-trimethyl-16-oxo-14-pyridin-3-yl-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl)methyl butanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)CC1CC(=NO1)C2=CC=C(C=C2)C(=N)N)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations