Geometry & MOs

Info

ID:

227043

PubChem CID:

87559877

Reduced:

OC23H34 (1)

Stoich.:

AB23C34 (1)

Weight, g/mol:

909.046066

ΔHf, kcal/mol:

-36.9

Dipole, Da:

1.64

IP(EA), eV:

-8.26(0.47)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

benzyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;(Z)-1-(4-chlorophenyl)-N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoroethanimine;2,2-dichloro-1-[5-(furan-2-yl)-2,2-dimethyl-1,3-oxazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=C(C(=C1/C=C\C)C(C)(C)C)O)C(C)(C)C)/C=C\C

DOS

IR

Vibrations