Geometry & MOs

Info

ID:	346601
PubChem CID:	127271105
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-123.49
Dipole, Da:	8.87
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-oxo-4H-1,4-benzoxazin-2-yl)-N-[1-(oxolan-2-yl)propan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)CC2=CSC(=N2)N3CCCC3=O

DOS

IR

Vibrations