Geometry & MOs

Info

ID:	241081
PubChem CID:	93621582
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-154.71
Dipole, Da:	7.89
IP(EA), eV:	-9.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCO[C@H]3[C@@H]2CCCC3

DOS

IR

Vibrations