Geometry & MOs

Info

ID:	395374
PubChem CID:	135025306
Reduced:	NSO2H17C24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	10.39
Dipole, Da:	2.82
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopenta-2,4-dien-1-yl-1-phenyl-3-propan-2-yl-1,3-diazinan-2-one

Drug info:

PubChemData

Smile

C1[C@@H](C(=C2N(C1=O)C3=CC=CC=C3S2)C(=O)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations