Geometry & MOs

Info

ID:	124491
PubChem CID:	50885088
Reduced:	N2O5H20C27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	433.091
ΔH_f, kcal/mol:	-70.63
Dipole, Da:	3.39
IP(EA), eV:	-9.31(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[(4Z)-3-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC\1=C(C(=O)N(C(=O)/C1=C\C2=CC=C(O2)C3=CC=C(C=C3)C(=O)O)CCC4=CC=CC=C4)C#N

DOS

IR

Vibrations