Geometry & MOs

Info

ID:	37695
PubChem CID:	8023357
Reduced:	ClN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	377.123169
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	6.24
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-1-ylsulfonyl-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]pyridine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations