Geometry & MOs

Info

ID:	436431
PubChem CID:	135202720
Reduced:	NSC5H11 (1)
Stoich.:	ABC5D11 (1)
Weight, g/mol:	498.038781
ΔH_f, kcal/mol:	-7.42
Dipole, Da:	1.5
IP(EA), eV:	-8.86(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]-N-pyrrolidin-3-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN1S

DOS

IR

Vibrations