Geometry & MOs

Info

ID:	241077
PubChem CID:	93621562
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-63.1
Dipole, Da:	4.44
IP(EA), eV:	-9.19(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CC[C@@H]2[C@H](C1)N(CCO2)C(=O)C3=CSC(=N3)C4=CC=CO4

DOS

IR

Vibrations