Geometry & MOs

Info

ID:

219990

PubChem CID:

85165119

Reduced:

N5O6C34H53 (1)

Stoich.:

A5B6C34D53 (1)

Weight, g/mol:

627.96274

ΔHf, kcal/mol:

-303.19

Dipole, Da:

6.19

IP(EA), eV:

 -9.32(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4'-bromo-N-[4-[(4'-bromo-5'-oxospiro[4H-1,2-oxazole-5,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3-carbonyl)amino]butyl]-5'-oxospiro[4H-1,2-oxazole-5,2'-7-oxabicyclo[4.1.0]hept-3-ene]-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)OC(C)(C)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3

DOS

IR

Vibrations