Geometry & MOs

Info

ID:	136010
PubChem CID:	51965006
Reduced:	N2O3S3H17C19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-0.95
Dipole, Da:	7.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.099905
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CC(=CC=C2)[N-]S(=O)(=O)C3=CC=CS3)C4=CSC=C4

DOS

IR

Vibrations