Geometry & MOs

Info

ID:	217340
PubChem CID:	85087654
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	354.080695
ΔH_f, kcal/mol:	-47.36
Dipole, Da:	2.62
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(8-methylsulfonyl-7,7-dioxo-2-oxa-7lambda6-thiabicyclo[4.2.0]octan-8-yl)acetate

Drug info:

PubChemData

Smile

CCCN1C2C(C(=O)N(C1=O)CC=C)N(C=N2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations