Geometry & MOs

Info

ID:

180504

PubChem CID:

76644736

Reduced:

NSSiO5C38H43 (1)

Stoich.:

ABCD5E38F43 (1)

Weight, g/mol:

897.36487

ΔHf, kcal/mol:

-166.48

Dipole, Da:

4.59

IP(EA), eV:

 -9.06(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-cyanophenyl)methyl-[1-[[1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropyl]phosphinic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(C=CC3C(C(CC3=O)O)CC=CCCCC(=O)O)C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations