Geometry & MOs

Info

ID:

299596

PubChem CID:

117688097

Reduced:

ClN3O4H18C20 (1)

Stoich.:

AB3C4D18E20 (1)

Weight, g/mol:

792.432282

ΔHf, kcal/mol:

-96.96

Dipole, Da:

11.26

IP(EA), eV:

 -8.95(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S,4S)-2-[5-[4-[(1S,2S)-2-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-4-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]cyclopropyl]phenyl]-1H-imidazol-2-yl]-4-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N(N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations