Geometry & MOs

Info

ID:	188311
PubChem CID:	77697098
Reduced:	NSO2C23H37 (1)
Stoich.:	ABC2D23E37 (1)
Weight, g/mol:	411.277344
ΔH_f, kcal/mol:	-77.82
Dipole, Da:	1.21
IP(EA), eV:	-8.56(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-5-[5-hydroxy-6-(3-hydroxy-3-phenylprop-1-enyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]pentanamide

Drug info:

PubChemData

Smile

CC#CCC(C)C(C=CC1C(CC2C1CC(=CCSCCN(C)C)C2)O)O

DOS

IR

Vibrations