Geometry & MOs

Info

ID:	208955
PubChem CID:	80607829
Reduced:	OSN4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	28.23
Dipole, Da:	6.39
IP(EA), eV:	-8.73(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-5-tert-butylazepan-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)C2=CC=CC=C21)CC3=NN=C(S3)N

DOS

IR

Vibrations