Geometry & MOs

Info

ID:	139377
PubChem CID:	52519881
Reduced:	N2O2C22H33 (1)
Stoich.:	A2B2C22D33 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-63.64
Dipole, Da:	2.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753999
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C[C@@H]2CCCN(C2)C(=O)COC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations