Geometry & MOs

Info

ID:	420492
PubChem CID:	135113436
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	390.205576
ΔH_f, kcal/mol:	-183.08
Dipole, Da:	6.02
IP(EA), eV:	-9.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CO1)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations