Geometry & MOs

Info

ID:

80141

PubChem CID:

49833223

Reduced:

BrO2N3C23H28 (1)

Stoich.:

AB2C3D23E28 (1)

Weight, g/mol:

521.14895

ΔHf, kcal/mol:

-30.23

Dipole, Da:

4.43

IP(EA), eV:

 -9.42(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,3R,4R)-3-N-(4-bromo-2,6-difluorophenyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CNCCC1NC(=O)[C@@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCC4=CC=C(C=C4)Br)C35CC5

DOS

IR

Vibrations