Geometry & MOs

Info

ID:	347700
PubChem CID:	127272580
Reduced:	SO3N4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	7.74
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(triazol-1-yl)phenyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NC2=CC=C(C=C2)N3C=CN=N3

DOS

IR

Vibrations