Geometry & MOs

Info

ID:	122435
PubChem CID:	50807069
Reduced:	FN2O4H23C29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	484.111
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	6.84
IP(EA), eV:	-8.95(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromobenzoyl)amino]-2-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]benzoic acid

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2CN1C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)O)C5=CC=CC=C5F

DOS

IR

Vibrations