Geometry & MOs

Info

ID:

180916

PubChem CID:

76703455

Reduced:

N3O4C25H25 (1)

Stoich.:

A3B4C25D25 (1)

Weight, g/mol:

882.379123

ΔHf, kcal/mol:

-79.61

Dipole, Da:

8.3

IP(EA), eV:

 -8.14(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[1-[2-(2-cyclopentyloxy-2-oxoethyl)-3,3-dimethylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropyl]-(2-phenylethenyl)phosphinic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C2NC(NC(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC)C=C1

DOS

IR

Vibrations