Geometry & MOs

Info

ID:	130259
PubChem CID:	51075414
Reduced:	OSN3H15C19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	340.11063
ΔH_f, kcal/mol:	97.81
Dipole, Da:	4.5
IP(EA), eV:	-8.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]indolizine-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CCNC(=O)C2=CNC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations