Geometry & MOs

Info

ID:	192369
PubChem CID:	78261904
Reduced:	N3O4H15C16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	467.123895
ΔH_f, kcal/mol:	-127.28
Dipole, Da:	6.2
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-1-phenyl-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)NC(=O)COC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations