Geometry & MOs

Info

ID:	43593
PubChem CID:	10321511
Reduced:	PSF2N2O5C18H25 (1)
Stoich.:	ABC2D2E5F18G25 (1)
Weight, g/mol:	450.187875
ΔH_f, kcal/mol:	-345.19
Dipole, Da:	2.16
IP(EA), eV:	-9.2(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-6-(4-oxo-4-pyrrolidin-1-ylbutyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

Drug info:

PubChemData

Smile

C1[C@@H](N(C(=O)N1)CCCCSCP(=O)(O)O)/C=C/C(C(C2=CC=CC=C2)(F)F)O

DOS

IR

Vibrations