Geometry & MOs

Info

ID:	417614
PubChem CID:	135102242
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	9.9
IP(EA), eV:	-9.45(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(benzenesulfonyl)piperidin-4-yl]amino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)CCN3C=NC=N3)C4=CCOCC4

DOS

IR

Vibrations