Geometry & MOs

Info

ID:

311933

PubChem CID:

126599412

Reduced:

SO3N4C18H23 (2)

Stoich.:

AB3C4D18E23 (2)

Weight, g/mol:

747.240993

ΔHf, kcal/mol:

-195.94

Dipole, Da:

3.76

IP(EA), eV:

 -8.78(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[5-[2-[2-[(2S)-1-(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]ethyl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations