Geometry & MOs

Info

ID:	184859
PubChem CID:	77221430
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	496.199171
ΔH_f, kcal/mol:	-49.53
Dipole, Da:	1.13
IP(EA), eV:	-8.87(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-carbamoyl-5-(4-methylsulfonylphenyl)-6-oxodiazinan-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)N1CC2CC1CN2)NC(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations