Geometry & MOs

Info

ID:	141652
PubChem CID:	52908826
Reduced:	S2N3O3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-7.33
Dipole, Da:	3.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764804
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-6-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=C(C=C1)N(C)C)N=C(C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)[O-]

DOS

IR

Vibrations