Geometry & MOs

Info

ID:	49684
PubChem CID:	11533545
Reduced:	BrNO2H8C10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	507.078633
ΔH_f, kcal/mol:	-65.51
Dipole, Da:	4.05
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[2-[(3S)-3-benzylpyrrolidin-1-yl]-2-oxoethyl]-4-(3,4-dichlorophenyl)sulfonyl-1,3-dihydropyrazin-2-one

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Br)N2C=C(C=N2)C(=O)C3=C(C=CC(=C3)Br)OCC(=O)O

DOS

IR

Vibrations