Geometry & MOs

Info

ID:	355212
PubChem CID:	127288144
Reduced:	OSN6C12H20 (1)
Stoich.:	ABC6D12E20 (1)
Weight, g/mol:	382.182733
ΔH_f, kcal/mol:	-20.39
Dipole, Da:	3.68
IP(EA), eV:	-8.69(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[(4-aminoquinazolin-2-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCSCC2=NC(=NC(=N2)N)N

DOS

IR

Vibrations