Geometry & MOs

Info

ID:	36301
PubChem CID:	8001404
Reduced:	S2N3O3C19H23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	6.08
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3S)-2,5-dioxo-1-(4-phenyldiazenylphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations