Geometry & MOs

Info

ID:	247159
PubChem CID:	103068299
Reduced:	OSN3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	229.07074
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	7.75
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CSC1=NC(=O)C=C(N1)C

DOS

IR

Vibrations