Geometry & MOs

Info

ID:	35989
PubChem CID:	7980603
Reduced:	NSO6H17C20 (1)
Stoich.:	ABC6D17E20 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-190.82
Dipole, Da:	6.21
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylphenoxy)phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC)N

DOS

IR

Vibrations