Geometry & MOs

Info

ID:	354893
PubChem CID:	127287653
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	349.146013
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	7.09
IP(EA), eV:	-8.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-oxoethyl]sulfanyl-1-cyclopropylpyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC1N2CCC(CC2)NC(=O)CSC3=NC(=O)C=CN3C4CC4

DOS

IR

Vibrations