Geometry & MOs

Info

ID:	125749
PubChem CID:	50936713
Reduced:	O5C23H26 (1)
Stoich.:	A5B23C26 (1)
Weight, g/mol:	381.121877
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	3.5
IP(EA), eV:	-8.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-prop-1-ynyl-N-[2-(2-trimethylsilylethynyl)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)OC1(CCC2=C(C1)C=CC(=C2C(=O)OC)CC3=CC=CC=C3OC)C

DOS

IR

Vibrations