Geometry & MOs

Info

ID:	209076
PubChem CID:	80619704
Reduced:	ClOSN3C8H10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	243.140533
ΔH_f, kcal/mol:	24.23
Dipole, Da:	1.36
IP(EA), eV:	-10.21(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-butan-2-yloxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC1CCNC(=O)C2=NN=C(S2)Cl

DOS

IR

Vibrations