Geometry & MOs

Info

ID:	422312
PubChem CID:	135117620
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	0.93
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CN=C(C=C1)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations