Geometry & MOs

Info

ID:

84874

PubChem CID:

49870520

Reduced:

OS2N6H8C14 (1)

Stoich.:

AB2C6D8E14 (1)

Weight, g/mol:

762.385331

ΔHf, kcal/mol:

183.21

Dipole, Da:

2.32

IP(EA), eV:

 -8.61(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN1C(=O)N2C=NC(=C2N=N1)C3=NC(=CS3)C4=CSC=C4

DOS

IR

Vibrations