Geometry & MOs

Info

ID:	170424
PubChem CID:	75231449
Reduced:	ClO3F4N7H22C24 (1)
Stoich.:	AB3C4D7E22F24 (1)
Weight, g/mol:	517.173702
ΔH_f, kcal/mol:	-231.34
Dipole, Da:	11.23
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[3-[[2-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)C(=O)NC2(CCOC2)C(=O)NCC3=C(C=C(C=N3)NC4=C(C=CC=C4F)C(F)(F)F)Cl

DOS

IR

Vibrations