Geometry & MOs

Info

ID:	360193
PubChem CID:	127300836
Reduced:	OS2N7C16H19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	80.79
Dipole, Da:	5.58
IP(EA), eV:	-9.07(-1.45)
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-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCCN(CC2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations