Geometry & MOs

Info

ID:

323028

PubChem CID:

126671821

Reduced:

ClS2O8N9C55H64 (1)

Stoich.:

AB2C8D9E55F64 (1)

Weight, g/mol:

556.251955

ΔHf, kcal/mol:

-209.83

Dipole, Da:

9.28

IP(EA), eV:

 -8.22(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-N-[2-fluoro-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCCOCCCOCC(=O)NC(C(=O)N5C[C@@H](C[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations