Geometry & MOs

Info

ID:	130105
PubChem CID:	51074943
Reduced:	OSN6C14H14 (1)
Stoich.:	ABC6D14E14 (1)
Weight, g/mol:	318.00676
ΔH_f, kcal/mol:	78.17
Dipole, Da:	5.91
IP(EA), eV:	-9.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]indolizine-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCN3C=NC=N3

DOS

IR

Vibrations