Geometry & MOs

Info

ID:	349048
PubChem CID:	127274774
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	5.78
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations