Geometry & MOs

Info

ID:	245454
PubChem CID:	99444979
Reduced:	ClFSN2O5H20C22 (1)
Stoich.:	ABCD2E5F20G22 (1)
Weight, g/mol:	431.08962
ΔH_f, kcal/mol:	-166.36
Dipole, Da:	1.45
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-3-bromo-N-(2-fluorophenyl)-N-(furan-2-ylmethyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations