Geometry & MOs

Info

ID:	369181
PubChem CID:	127331483
Reduced:	N2O3C21H30 (1)
Stoich.:	A2B3C21D30 (1)
Weight, g/mol:	331.18173
ΔH_f, kcal/mol:	-143.55
Dipole, Da:	5.22
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-1,1-dioxothiane-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)CN2C(=O)CCC3=CC=CC=C32

DOS

IR

Vibrations