Geometry & MOs

Info

ID:	189724
PubChem CID:	77895727
Reduced:	BrSO6N9C30H40 (1)
Stoich.:	ABC6D9E30F40 (1)
Weight, g/mol:	478.18279
ΔH_f, kcal/mol:	-182.32
Dipole, Da:	3.91
IP(EA), eV:	-8.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)OC(=O)CNC(=O)C(CCCCN)N

DOS

IR

Vibrations