Geometry & MOs

Info

ID:	366079
PubChem CID:	127319410
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	352.109293
ΔH_f, kcal/mol:	-190.61
Dipole, Da:	8.47
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations