Geometry & MOs

Info

ID:	321255
PubChem CID:	126665610
Reduced:	OF3N6H27C28 (1)
Stoich.:	AB3C6D27E28 (1)
Weight, g/mol:	611.251953
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	3.55
IP(EA), eV:	-9.01(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=NC=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F

DOS

IR

Vibrations