Geometry & MOs

Info

ID:

190633

PubChem CID:

78035133

Reduced:

N3O4C33H51 (1)

Stoich.:

A3B4C33D51 (1)

Weight, g/mol:

627.369702

ΔHf, kcal/mol:

-201.52

Dipole, Da:

8.8

IP(EA), eV:

 -9.03(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-4-[1-[4-[hydroxy-(tetrazolidin-5-ylmethylamino)methyl]phenyl]-4,4-dimethylpentyl]-8-phenyl-1,4-diazaspiro[4.5]dec-1-en-3-one

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)C2=NC3(CCC(CC3)C(C)(C)C)N(C2=O)C(CCC(C)(C)C)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations