Geometry & MOs

Info

ID:	76869
PubChem CID:	48425502
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-131.19
Dipole, Da:	8.34
IP(EA), eV:	-8.73(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzylsulfanyl-N-[2-(diethylamino)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations