Geometry & MOs

Info

ID:

190674

PubChem CID:

78040482

Reduced:

S2N5O12C22H27 (1)

Stoich.:

A2B5C12D22E27 (1)

Weight, g/mol:

449.229012

ΔHf, kcal/mol:

-468.9

Dipole, Da:

6.68

IP(EA), eV:

 -8.53(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3'-[(1-acetylpyrrolidin-3-yl)amino]-1-methyl-7-(trifluoromethyl)spiro[1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinoline-2,1'-cyclopentane]-3-one

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)C(C(=O)N)OC3C(C(C=C(O3)C(=O)NC4C5C(=CSS5)NC4=O)O)O)CO)O

DOS

IR

Vibrations