Geometry & MOs

Info

ID:	349757
PubChem CID:	127275956
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-81.74
Dipole, Da:	4.25
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(pyrrolidine-1-carbonyl)phenyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=C(N1)C=CS2)C(=O)C3CCCOC3

DOS

IR

Vibrations