Geometry & MOs

Info

ID:	239978
PubChem CID:	93375438
Reduced:	SN3O3C10H19 (1)
Stoich.:	AB3C3D10E19 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	10.44
IP(EA), eV:	-9.98(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-chloro-N-[(2R)-2-cyanopropyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H](CN(C)C(=O)[C@H](CCS(=O)(=O)C)N)C#N

DOS

IR

Vibrations