Geometry & MOs

Info

ID:

317880

PubChem CID:

126647089

Reduced:

ISN3H18C19 (1)

Stoich.:

ABC3D18E19 (1)

Weight, g/mol:

864.395896

ΔHf, kcal/mol:

92.95

Dipole, Da:

2.79

IP(EA), eV:

 -8.64(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-phenoxyphenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C2=NC=C(N2)C3=CC(=C(C=C3)I)SC4=CC=CC=C4

DOS

IR

Vibrations