Geometry & MOs

Info

ID:	356060
PubChem CID:	127291096
Reduced:	S2N3O4C16H25 (1)
Stoich.:	A2B3C4D16E25 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	3.68
IP(EA), eV:	-9.07(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations