Geometry & MOs

Info

ID:	308044
PubChem CID:	125312623
Reduced:	N2O3F4H18C24 (1)
Stoich.:	A2B3C4D18E24 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-193.73
Dipole, Da:	6.79
IP(EA), eV:	-9.11(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3S,4S)-5-(2-methoxyethyl)-3-(4-methoxyphenyl)-6-oxo-3,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(N=N[C@@H]2C3=C(C=C(C=C3)OCC4=CC=CC=C4F)O)C(F)(F)F

DOS

IR

Vibrations