Geometry & MOs

Info

ID:	135698
PubChem CID:	51919028
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-238.36
Dipole, Da:	4.83
IP(EA), eV:	-9.18(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H]2CCS(=O)(=O)C2)C)C(=O)COC(=O)C3=C(C(=C(N3)C)C(=O)C)C

DOS

IR

Vibrations