Geometry & MOs

Info

ID:	360510
PubChem CID:	127301155
Reduced:	N3O3C19H33 (1)
Stoich.:	A3B3C19D33 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-167.29
Dipole, Da:	4.77
IP(EA), eV:	-9.02(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]-2-(2,4-dioxo-1,3-diazinan-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations