Geometry & MOs

Info

ID:

311934

PubChem CID:

126599413

Reduced:

S2O4N9H37C38 (1)

Stoich.:

A2B4C9D37E38 (1)

Weight, g/mol:

820.257371

ΔHf, kcal/mol:

-7.41

Dipole, Da:

4.49

IP(EA), eV:

 -9.04(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)N[C@H](C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC=C(N3)C4=NC=C(S4)C5=CN=C(S5)C6=CN=C(N6)[C@@H]7CCCN7C(=O)CC8=CC=CC=C8

DOS

IR

Vibrations