Geometry & MOs

Info

ID:	34022
PubChem CID:	7889458
Reduced:	FOS2N3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	359.112605
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	4.43
IP(EA), eV:	-9.15(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)F)NC(=O)[C@H](C)SC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations