Geometry & MOs

Info

ID:	65318
PubChem CID:	29212058
Reduced:	OSN6H28C30 (1)
Stoich.:	ABC6D28E30 (1)
Weight, g/mol:	405.188626
ΔH_f, kcal/mol:	126.75
Dipole, Da:	2.96
IP(EA), eV:	-8.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(Z)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=NNC2=NC(=NN2)SCCC(=O)NC3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations