Geometry & MOs

Info

ID:	392281
PubChem CID:	135014107
Reduced:	ClSN5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	131.43
Dipole, Da:	7.21
IP(EA), eV:	-8.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6,6-tetramethyl-3-[(2S)-2-methylbutyl]oxan-4-one

Drug info:

PubChemData

Smile

C=CCN(C1=NC(=CN=N1)C2=CC=CC=C2)C3(CCCC3)C(=S)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations