Geometry & MOs

Info

ID:	156105
PubChem CID:	56369137
Reduced:	BrClON4C17H18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	475.159949
ΔH_f, kcal/mol:	15.94
Dipole, Da:	2.93
IP(EA), eV:	-9.0(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-acetylphenyl)sulfonylamino]-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=CC=N2)CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations