Geometry & MOs

Info

ID:	236963
PubChem CID:	92716440
Reduced:	FON3H26C27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	247.0667
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	4.26
IP(EA), eV:	-8.4(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (10S)-10-methyl-9-thia-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)N2CCC3=C([C@@H](C2)C4=CC=CC=C4F)NC5=CC=CC=C35)C

DOS

IR

Vibrations