Geometry & MOs

Info

ID:	222399
PubChem CID:	85297376
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	423.277344
ΔH_f, kcal/mol:	10.97
Dipole, Da:	1.98
IP(EA), eV:	-8.35(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(7-hydroxy-4,8,12-trimethyl-2-oxocyclotetradeca-3,8,11-trien-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=C2C)C(=NO)CCN3CCN(CC3)C4=CC=CC=C4OC

DOS

IR

Vibrations