Geometry & MOs

Info

ID:	214381
PubChem CID:	84981791
Reduced:	SN2O5C17H20 (1)
Stoich.:	AB2C5D17E20 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	-169.24
Dipole, Da:	4.36
IP(EA), eV:	-8.41(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CN(C)C(=O)COC(=O)C(CCSC)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations