Geometry & MOs

Info

ID:	59597
PubChem CID:	24877539
Reduced:	F2N3O4H17C18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	383.122501
ΔH_f, kcal/mol:	-181.11
Dipole, Da:	1.83
IP(EA), eV:	-8.86(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-hydroxy-2-methylsulfonylethyl)thiophen-2-yl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC=C2C=C1OC3=C(C=C(C=C3)F)F)NC(CO)(CO)CO

DOS

IR

Vibrations