Geometry & MOs

Info

ID:	33610
PubChem CID:	7887184
Reduced:	OS2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	401.159555
ΔH_f, kcal/mol:	25.81
Dipole, Da:	5.02
IP(EA), eV:	-8.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)CCC#N)C

DOS

IR

Vibrations