Geometry & MOs

Info

ID:	134269
PubChem CID:	51671462
Reduced:	BrSN2O4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	2.19
IP(EA), eV:	-9.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@H](C(=C(NC1=O)SCC(=O)C2CC2)C#N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations