Geometry & MOs

Info

ID:	230358
PubChem CID:	87570713
Reduced:	ClS2O3N4C23H33 (1)
Stoich.:	AB2C3D4E23F33 (1)
Weight, g/mol:	512.168261
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	4.17
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2,4-dimethyl-N-[3-[4-[[(R)-methylsulfonyl(thiophen-3-yl)methyl]amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)S(=O)(=O)C)C)Cl

DOS

IR

Vibrations