Geometry & MOs

Info

ID:	78457
PubChem CID:	49689808
Reduced:	SO4N5C18H19 (1)
Stoich.:	AB4C5D18E19 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	6.08
IP(EA), eV:	-9.64(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=NOC(=C3)C4=CC=CO4

DOS

IR

Vibrations