Geometry & MOs

Info

ID:	422748
PubChem CID:	135118347
Reduced:	NSO5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-213.84
Dipole, Da:	3.28
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)sulfonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)S(=O)(=O)C3=CC=CC=C3)OC[C@@H]1O)O

DOS

IR

Vibrations