Geometry & MOs

Info

ID:	150986
PubChem CID:	53790683
Reduced:	S2O7N8H16C17 (1)
Stoich.:	A2B7C8D16E17 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-74.05
Dipole, Da:	9.4
IP(EA), eV:	-9.87(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethynyl-4-(2-methoxyethenyl)benzene

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SC(C2=C(N3[C@H]([C@@H](C3=O)NC(=O)CC4=C(C(=O)NO4)C#N)SC2)C(=O)O)OC

DOS

IR

Vibrations