Geometry & MOs

Info

ID:

160711

PubChem CID:

57389524

Reduced:

N3O3C27H31 (1)

Stoich.:

A3B3C27D31 (1)

Weight, g/mol:

526.329439

ΔHf, kcal/mol:

-87.99

Dipole, Da:

10.01

IP(EA), eV:

 -9.3(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3E,5Z,7E)-8-[(13E,15R)-12,15-dimethyl-5-methylidene-9-oxo-10,21,22-trioxatricyclo[15.3.1.13,7]docos-13-en-11-yl]-3-methylocta-3,5,7-trienoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C(CC(C)C)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations