Geometry & MOs

Info

ID:	155749
PubChem CID:	56367315
Reduced:	ClSO2N5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	462.128314
ΔH_f, kcal/mol:	38.23
Dipole, Da:	4.26
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCC(=O)NC3=CN=CC=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations