Geometry & MOs

Info

ID:

218360

PubChem CID:

85089227

Reduced:

N4O6C23H24 (1)

Stoich.:

A4B6C23D24 (1)

Weight, g/mol:

452.194737

ΔHf, kcal/mol:

-186.82

Dipole, Da:

4.13

IP(EA), eV:

 -9.63(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methylpropoxycarbonyl 16-methyl-14-oxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-12-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C(=O)OC)NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations