Geometry & MOs

Info

ID:	145494
PubChem CID:	53535532
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	401.199094
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	4.05
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-4-methoxyphenyl)-4-phenyloxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=CC=C2)CCCS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations