Geometry & MOs

Info

ID:	50040
PubChem CID:	11538979
Reduced:	ON4H22C27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	418.156243
ΔH_f, kcal/mol:	78.54
Dipole, Da:	3.14
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3S,5S)-2-benzyl-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=NC(=NC=C2C=C(C1=O)C3=CC=C(C=C3)C4=CC=CC=C4)NC5=CC=CC=C5

DOS

IR

Vibrations