Geometry & MOs

Info

ID:	240615
PubChem CID:	93616775
Reduced:	ClN3O3C14H18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	283.108754
ΔH_f, kcal/mol:	-125.46
Dipole, Da:	7.27
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[[(2S)-3-methylbutan-2-yl]carbamoylamino]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)N

DOS

IR

Vibrations