Geometry & MOs

Info

ID:

84640

PubChem CID:

49869003

Reduced:

OSN7H11C15 (1)

Stoich.:

ABC7D11E15 (1)

Weight, g/mol:

794.357403

ΔHf, kcal/mol:

175.38

Dipole, Da:

3.03

IP(EA), eV:

 -8.51(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(N=C1C2=C3N=NN(C(=O)N3C=N2)CC#C)C4=CC=CS4

DOS

IR

Vibrations