Geometry & MOs

Info

ID:	353275
PubChem CID:	127284455
Reduced:	N2S2O5C14H20 (1)
Stoich.:	A2B2C5D14E20 (1)
Weight, g/mol:	383.187878
ΔH_f, kcal/mol:	-192.83
Dipole, Da:	5.22
IP(EA), eV:	-10.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations