Geometry & MOs

Info

ID:	187475
PubChem CID:	77577161
Reduced:	ClION2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	454.144154
ΔH_f, kcal/mol:	42.89
Dipole, Da:	2.96
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydropyrazin-2-one

Drug info:

PubChemData

Smile

C1=C2C(C(=O)NC3=CC(=C(C=C23)I)Cl)N=C1

DOS

IR

Vibrations