Geometry & MOs

Info

ID:	166028
PubChem CID:	74627626
Reduced:	N3O4C25H37 (1)
Stoich.:	A3B4C25D37 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-147.4
Dipole, Da:	2.18
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCCC3)OC

DOS

IR

Vibrations