Geometry & MOs

Info

ID:	240616
PubChem CID:	93616779
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	7.61
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)NC1=CC(=C(C=C1)C(=O)N)Cl

DOS

IR

Vibrations