Geometry & MOs

Info

ID:	244568
PubChem CID:	99364997
Reduced:	ClSO2N3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	402.176585
ΔH_f, kcal/mol:	8.51
Dipole, Da:	5.99
IP(EA), eV:	-9.12(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzylphenyl)-4-(thiomorpholin-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations