Geometry & MOs

Info

ID:	163550
PubChem CID:	58034158
Reduced:	ClFN2O4H28C32 (1)
Stoich.:	ABC2D4E28F32 (1)
Weight, g/mol:	539.161184
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	7.05
IP(EA), eV:	-8.74(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-acetylanilino)-5-[5-[4-chloro-N-(cyclopropylmethyl)anilino]pyridine-2-carbonyl]benzoic acid

Drug info:

PubChemData

Smile

CC1(COC1)CN(C2=CC=CC=C2F)C3=CC(=CC(=C3)C(=O)O)C(=O)C4=CC=C(C=C4)N(C)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations