Geometry & MOs

Info

ID:

298862

PubChem CID:

117661914

Reduced:

O5N6C36H40 (1)

Stoich.:

A5B6C36D40 (1)

Weight, g/mol:

788.375829

ΔHf, kcal/mol:

-148.64

Dipole, Da:

8.59

IP(EA), eV:

 -7.82(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[3-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]indolo[1,2-c]quinazolin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)N1CCCC1C(=O)NC2=CC=C(C=C2)C3=CC4=C(N3)C=CC(=C4)NC(=O)[C@@H]5CCCN5C(=O)[C@@H](C6=CC=CC=C6)NC(=O)O

DOS

IR

Vibrations