Geometry & MOs

Info

ID:	370449
PubChem CID:	127338892
Reduced:	NOS2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	368.159689
ΔH_f, kcal/mol:	-31.08
Dipole, Da:	4.25
IP(EA), eV:	-8.66(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-pyrimidin-2-ylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1CSCCN1C(=O)C2=CC=C(S2)C

DOS

IR

Vibrations