Geometry & MOs

Info

ID:

311937

PubChem CID:

126599417

Reduced:

SO3N5C17H22 (2)

Stoich.:

AB3C5D17E22 (2)

Weight, g/mol:

822.273021

ΔHf, kcal/mol:

-172.47

Dipole, Da:

5.78

IP(EA), eV:

 -9.22(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-hydroxy-2-[(2S)-2-[5-[2-[5-[2-[(2S)-1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=NC=C(S3)C4=CN=C(S4)C5=CN=C(N5)[C@@H]6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations