Geometry & MOs

Info

ID:	49850
PubChem CID:	11533954
Reduced:	FSN4O7H21C25 (1)
Stoich.:	ABC4D7E21F25 (1)
Weight, g/mol:	540.234825
ΔH_f, kcal/mol:	-237.13
Dipole, Da:	10.38
IP(EA), eV:	-9.26(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1'-(2-methoxyethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea

Drug info:

PubChemData

Smile

COC(=O)C1=CSC(=N1)NC(=O)[C@H](CC2=CC=C(C=C2)F)N3C(=O)[C@H](NC3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations