Geometry & MOs

Info

ID:	345909
PubChem CID:	127270209
Reduced:	FON5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	397.13726
ΔH_f, kcal/mol:	-14.11
Dipole, Da:	8.35
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

C1CC2=CC(=C(N=C2C1)N3CCC(C3)NC(=O)NC4=CC=C(C=C4)F)C#N

DOS

IR

Vibrations