Geometry & MOs

Info

ID:	327374
PubChem CID:	126689714
Reduced:	FO3N5C16H20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	584.204668
ΔH_f, kcal/mol:	-37.62
Dipole, Da:	7.4
IP(EA), eV:	-8.72(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[2-fluoro-4-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(C2=NC=C(C=C2)NCCNCCN)O)[N+](=O)[O-])F

DOS

IR

Vibrations