Geometry & MOs

Info

ID:	134283
PubChem CID:	51672618
Reduced:	ClOSN4C25H29 (1)
Stoich.:	ABCD4E25F29 (1)
Weight, g/mol:	388.122356
ΔH_f, kcal/mol:	6.33
Dipole, Da:	5.32
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(3-chlorophenoxy)ethyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations