Geometry & MOs

Info

ID:	61269
PubChem CID:	26707645
Reduced:	BrSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-162.17
Dipole, Da:	5.04
IP(EA), eV:	-9.31(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[3-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)OC)Br)OC

DOS

IR

Vibrations