Geometry & MOs

Info

ID:	63017
PubChem CID:	26738013
Reduced:	ClFSN3O4C23H27 (1)
Stoich.:	ABCD3E4F23G27 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-203.75
Dipole, Da:	4.62
IP(EA), eV:	-9.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations