Geometry & MOs

Info

ID:	176144
PubChem CID:	76000656
Reduced:	O2S2N4C25H30 (1)
Stoich.:	A2B2C4D25E30 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	8.11
IP(EA), eV:	-8.65(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-6-phenyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CSC3C2NC(NC3=O)N4CCC(CC4)C(=O)NCCC5=CC=CS5

DOS

IR

Vibrations