Geometry & MOs

Info

ID:

84675

PubChem CID:

49869272

Reduced:

S3N5O6C26H27 (1)

Stoich.:

A3B5C6D26E27 (1)

Weight, g/mol:

791.400647

ΔHf, kcal/mol:

-143.33

Dipole, Da:

2.08

IP(EA), eV:

 -8.95(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=NC(=CS2)C(CC3=CC=C(C=C3)NS(=O)(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC

DOS

IR

Vibrations