Geometry & MOs

Info

ID:	133040
PubChem CID:	51467367
Reduced:	BrO2N3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	454.140296
ΔH_f, kcal/mol:	50.87
Dipole, Da:	6.04
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4S)-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NNC3=C2[C@@H](N(C3=O)C4=CC=C(C=C4)Br)C5=CC=CC=C5

DOS

IR

Vibrations