Geometry & MOs

Info

ID:	68742
PubChem CID:	46509017
Reduced:	SN2O6C18H22 (1)
Stoich.:	AB2C6D18E22 (1)
Weight, g/mol:	425.104542
ΔH_f, kcal/mol:	-180.09
Dipole, Da:	6.91
IP(EA), eV:	-9.91(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3CCCO3

DOS

IR

Vibrations