Geometry & MOs

Info

ID:

80358

PubChem CID:

49834149

Reduced:

BrO2N3C25H34 (1)

Stoich.:

AB2C3D25E34 (1)

Weight, g/mol:

531.17327

ΔHf, kcal/mol:

-33.31

Dipole, Da:

4.3

IP(EA), eV:

 -8.68(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations