Geometry & MOs

Info

ID:

80262

PubChem CID:

49833776

Reduced:

BrO2N3C26H36 (1)

Stoich.:

AB2C3D26E36 (1)

Weight, g/mol:

503.14197

ΔHf, kcal/mol:

-41.3

Dipole, Da:

3.04

IP(EA), eV:

 -8.52(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(1R,2R,3R,4R)-3-[(4-bromophenyl)carbamoyl]spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)CCCC(C)NC(=O)[C@@H]1[C@H]2C=C[C@H]([C@H]1C(=O)NC3=CC=C(C=C3)Br)C24CC4

DOS

IR

Vibrations