Geometry & MOs

Info

ID:	164354
PubChem CID:	74387300
Reduced:	SF3N3O3H22C26 (1)
Stoich.:	AB3C3D3E22F26 (1)
Weight, g/mol:	527.322003
ΔH_f, kcal/mol:	-176.19
Dipole, Da:	5.36
IP(EA), eV:	-9.44(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]pyrazolidin-4-yl]urea;octanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)(C1=NN=C(S1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C4=CC=CC=C4)C(F)(F)F)N

DOS

IR

Vibrations