Geometry & MOs

Info

ID:	349241
PubChem CID:	127274967
Reduced:	OSN7C18H23 (1)
Stoich.:	ABC7D18E23 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	65.8
Dipole, Da:	4.56
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=NN12)CC(=O)N3CCCN(CC3)CC4=CSC=N4)C

DOS

IR

Vibrations