Geometry & MOs

Info

ID:	370516
PubChem CID:	127339483
Reduced:	SN2O4C15H24 (1)
Stoich.:	AB2C4D15E24 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-189.46
Dipole, Da:	2.09
IP(EA), eV:	-9.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[3-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)C2CC(=O)N(C2)C3CCCC3

DOS

IR

Vibrations