Geometry & MOs

Info

ID:	413217
PubChem CID:	135086163
Reduced:	NS2O3H23C26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	370.08359
ΔH_f, kcal/mol:	55.4
Dipole, Da:	7.73
IP(EA), eV:	-8.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-7-phenyl-6-phenylselanylhept-4-yn-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#C)C(C#CSC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations