Geometry & MOs

Info

ID:	148815
PubChem CID:	53788484
Reduced:	NOSCl2F3H10C17 (1)
Stoich.:	ABCD2E3F10G17 (1)
Weight, g/mol:	702.16011
ΔH_f, kcal/mol:	-152.72
Dipole, Da:	3.41
IP(EA), eV:	-8.73(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetyl]amino]-N-[3-oxo-4-sulfanyl-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=C(SC(=C2O)C3=C(C(=CC=C3)Cl)Cl)N

DOS

IR

Vibrations