Geometry & MOs

Info

ID:	285380
PubChem CID:	104103799
Reduced:	NCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	256.099397
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.05
IP(EA), eV:	-9.35(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-oxazolidin-2-yl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

C1CN(OC1)C(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations