Geometry & MOs

Info

ID:

84835

PubChem CID:

49870252

Reduced:

OS2N6H8C12 (1)

Stoich.:

AB2C6D8E12 (1)

Weight, g/mol:

820.373053

ΔHf, kcal/mol:

122.65

Dipole, Da:

2.43

IP(EA), eV:

 -8.77(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)N2C=NC(=C2N=N1)C3=NC(=CS3)C4=CC=CS4

DOS

IR

Vibrations