Geometry & MOs

Info

ID:	365600
PubChem CID:	127318211
Reduced:	SO2N4C20H36 (1)
Stoich.:	AB2C4D20E36 (1)
Weight, g/mol:	284.155849
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	5.99
IP(EA), eV:	-8.48(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thian-4-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CN2CCN(CC2)C(=O)NCC3CCSCC3)C

DOS

IR

Vibrations