Geometry & MOs

Info

ID:	243136
PubChem CID:	99215902
Reduced:	SO2N4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	435.036578
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	5.03
IP(EA), eV:	-8.82(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 2-(5-methylthiophen-2-yl)acetate

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=CC=C1CNC(=O)[C@@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations