Geometry & MOs

Info

ID:	348981
PubChem CID:	127274707
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-65.34
Dipole, Da:	5.69
IP(EA), eV:	-8.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)CSCC3CCCCO3

DOS

IR

Vibrations