Geometry & MOs

Info

ID:	234402
PubChem CID:	92298349
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	311.022832
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	7.07
IP(EA), eV:	-8.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N,N-bis(cyanomethyl)-2-(2,4-dichlorophenoxy)propanamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC(=C3)C(=O)C4=NC=CN4C

DOS

IR

Vibrations