Geometry & MOs

Info

ID:	38342
PubChem CID:	8031155
Reduced:	SN3O4C17H17 (1)
Stoich.:	AB3C4D17E17 (1)
Weight, g/mol:	336.159969
ΔH_f, kcal/mol:	-123.97
Dipole, Da:	2.07
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-[(2S)-butan-2-yl]-4-phenyl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)NC(=O)N(C3=O)CC(=O)NCC4=CC=CO4

DOS

IR

Vibrations