Geometry & MOs

Info

ID:	160057
PubChem CID:	57304517
Reduced:	ClS2O3N6C18H19 (1)
Stoich.:	AB2C3D6E18F19 (1)
Weight, g/mol:	124.088815
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	2.89
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-di(propylidene)oxirane

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(S2)C=CC=N3)CCNC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations