Geometry & MOs

Info

ID:	230268
PubChem CID:	87570546
Reduced:	SC3O4H6 (1)
Stoich.:	AB3C4D6 (1)
Weight, g/mol:	532.238723
ΔH_f, kcal/mol:	-152.2
Dipole, Da:	4.13
IP(EA), eV:	-11.25(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-3-[4-[(N-acetyl-N-methylcarbamimidoyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C.C(=S(=O)=O)C(=O)O

DOS

IR

Vibrations