Geometry & MOs

Info

ID:	370530
PubChem CID:	127339543
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	331.156577
ΔH_f, kcal/mol:	-143.44
Dipole, Da:	3.02
IP(EA), eV:	-9.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations