Geometry & MOs

Info

ID:

323025

PubChem CID:

126671814

Reduced:

ClS2O7N9C51H64 (1)

Stoich.:

AB2C7D9E51F64 (1)

Weight, g/mol:

307.171834

ΔHf, kcal/mol:

-204.19

Dipole, Da:

11.16

IP(EA), eV:

 -9.21(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-4-[(1-tert-butyl-2-methylimidazol-4-yl)oxymethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCCCOCCCOCC(=O)N[C@H](C(=O)N4C[C@@H](C[C@H]4C(=O)NCC5=CC=C(C=C5)C6=C(N=CS6)C)O)C(C)(C)C)C7=CC=C(C=C7)Cl)C

DOS

IR

Vibrations