Geometry & MOs

Info

ID:	401359
PubChem CID:	135051045
Reduced:	NSO5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	366.251858
ΔH_f, kcal/mol:	-172.2
Dipole, Da:	6.94
IP(EA), eV:	-9.45(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-hydroxy-5,5-dimethyl-4-oxo-1-(1H-pyrrol-3-yl)hexyl]-methylamino]-3-methylbutyl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)C1=CN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations