Geometry & MOs

Info

ID:	157536
PubChem CID:	56435600
Reduced:	OCl2S2N3H9C14 (1)
Stoich.:	AB2C2D3E9F14 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	33.86
Dipole, Da:	5.42
IP(EA), eV:	-8.41(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-[4-[methyl(methylsulfonyl)amino]piperidin-1-yl]-2-oxo-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=C(S2)C(=O)NC3=CC(=C(C(=C3)Cl)N)Cl

DOS

IR

Vibrations