Geometry & MOs

Info

ID:	393352
PubChem CID:	135020262
Reduced:	O8C19H24 (1)
Stoich.:	A8B19C24 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-348.97
Dipole, Da:	3.73
IP(EA), eV:	-9.05(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-4-hydroxybut-2-enyl]-4-methyl-N-pent-3-yn-2-ylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1[C@@H](OC([C@H](C1OC(=O)C)OC(=O)C)COC(=O)C)OC2=CC=CC=C2

DOS

IR

Vibrations