Geometry & MOs

Info

ID:

334419

PubChem CID:

127252971

Reduced:

N3O6H15C19 (1)

Stoich.:

A3B6C15D19 (1)

Weight, g/mol:

458.195405

ΔHf, kcal/mol:

-186.94

Dipole, Da:

9.16

IP(EA), eV:

 -8.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[6-[2-(1H-imidazol-5-yl)ethyl]-5,14,16-trimethyl-7-oxo-2-oxa-6,18-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1(18),3(8),4,10,12,14,16-heptaen-9-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=C(NC3=C2C(=O)NC(=O)N3)C4=CC=C(C=C4)OC)O

DOS

IR

Vibrations