Geometry & MOs

Info

ID:	129108
PubChem CID:	51070382
Reduced:	ClN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	4.1
IP(EA), eV:	-9.01(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CC(=NO2)CN(C(C)C)C(=O)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations