Geometry & MOs

Info

ID:	185949
PubChem CID:	77373298
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	2.6
IP(EA), eV:	-9.27(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[4-(2,5-dioxo-3,10b-dihydro-[1,3]oxazolo[3,2-c][1,3]benzoxazin-3-yl)butyl]carbamate

Drug info:

PubChemData

Smile

CNC(CC1=CN(C=N1)C(CC(C(=O)O)N)C2=CSC=C2)C(=O)O

DOS

IR

Vibrations