Geometry & MOs

Info

ID:	217407
PubChem CID:	85087771
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	360.106516
ΔH_f, kcal/mol:	30.3
Dipole, Da:	4.76
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyl-4-(1,3-dithian-2-yl)-3-methyl-5-oxooxolan-2-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)OC(C1=CC=CC=C1)C2=CC=C(C=C2)C#C

DOS

IR

Vibrations