Geometry & MOs

Info

ID:	148364
PubChem CID:	53788026
Reduced:	OSN3C22H25 (1)
Stoich.:	ABC3D22E25 (1)
Weight, g/mol:	390.150095
ΔH_f, kcal/mol:	28.87
Dipole, Da:	2.38
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-but-2-ynyl-2-(4-methoxyphenyl)sulfonylhex-4-ynoate

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=C(C(=C2)OC)CC3CCC4C(N3CN4)C5=CC=CC=C5

DOS

IR

Vibrations