Geometry & MOs

Info

ID:	354909
PubChem CID:	127287669
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	359.166748
ΔH_f, kcal/mol:	-65.27
Dipole, Da:	4.26
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-(1-cyclopropyl-4-oxopyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(C2CCCCC2)C(=O)CSC3=NC(=O)C=CN3C4CC4

DOS

IR

Vibrations