Geometry & MOs

Info

ID:	244566
PubChem CID:	99364990
Reduced:	ClSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	354.176585
ΔH_f, kcal/mol:	10.07
Dipole, Da:	2.41
IP(EA), eV:	-8.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(thiomorpholin-4-ylmethyl)-N-(2,4,6-trimethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations