Geometry & MOs

Info

ID:	157857
PubChem CID:	56437632
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	482.208673
ΔH_f, kcal/mol:	-74.25
Dipole, Da:	2.48
IP(EA), eV:	-8.5(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)N(C)CCCC(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations