Geometry & MOs

Info

ID:	33524
PubChem CID:	7886828
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	380.076553
ΔH_f, kcal/mol:	-65.9
Dipole, Da:	8.0
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-cyanophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)F)C(=O)COC2=CC=C(C=C2)C3=NN=CO3

DOS

IR

Vibrations