Geometry & MOs

Info

ID:	325864
PubChem CID:	126685335
Reduced:	FSN4O6C32H49 (1)
Stoich.:	ABC4D6E32F49 (1)
Weight, g/mol:	327.04444
ΔH_f, kcal/mol:	-302.87
Dipole, Da:	4.24
IP(EA), eV:	-9.26(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(2-propan-2-ylsulfonylanilino)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(CC(CCO1)[C@H](C2=CC=C(C=C2)F)[C@@H](C(=O)N[C@H]3CCC[C@@H]3CC[C@H]4CN[C@@H]5CCCS(=O)(=O)N4C5)NC(=O)OC)C

DOS

IR

Vibrations