Geometry & MOs

Info

ID:	353278
PubChem CID:	127284458
Reduced:	SN2O5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	343.100205
ΔH_f, kcal/mol:	-177.59
Dipole, Da:	7.16
IP(EA), eV:	-10.12(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)CC(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations