Geometry & MOs

Info

ID:	65101
PubChem CID:	29204471
Reduced:	SN4O5C25H28 (1)
Stoich.:	AB4C5D25E28 (1)
Weight, g/mol:	429.135842
ΔH_f, kcal/mol:	-116.41
Dipole, Da:	8.46
IP(EA), eV:	-8.63(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=CC=C4)S(=O)(=O)N5CCCCC5

DOS

IR

Vibrations