Geometry & MOs

Info

ID:	241082
PubChem CID:	93621586
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-147.32
Dipole, Da:	1.21
IP(EA), eV:	-8.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)N(CCO2)C(=O)CN3C(=O)COC4=CC=CC=C43

DOS

IR

Vibrations