Geometry & MOs

Info

ID:	412935
PubChem CID:	135085872
Reduced:	NO2S2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	218.112922
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(2-ethylsulfanylethynyl)benzene

Drug info:

PubChemData

Smile

CCNC(=O)C(=C1SCCS1)C(=O)C

DOS

IR

Vibrations