Geometry & MOs

Info

ID:	36561
PubChem CID:	8008804
Reduced:	NSO4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-123.76
Dipole, Da:	8.42
IP(EA), eV:	-9.46(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-3-hydroxy-N-[2-(1H-indol-3-yl)ethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)C)OC2=CC=CC=C2

DOS

IR

Vibrations