Geometry & MOs

Info

ID:

230866

PubChem CID:

87572174

Reduced:

ClO3N10C25H31 (1)

Stoich.:

AB3C10D25E31 (1)

Weight, g/mol:

903.500695

ΔHf, kcal/mol:

-40.74

Dipole, Da:

10.07

IP(EA), eV:

 -9.14(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[6-[(2R,5R)-5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1CC1NC2=CC(=NN3C2=NC=C3C(=O)NC4=CC(=NC=C4)Cl)NC5CCC(CC5)NC(=O)[C@@H](CC(=O)N)N

DOS

IR

Vibrations