Geometry & MOs

Info

ID:	432491
PubChem CID:	135172624
Reduced:	O8C45H58 (1)
Stoich.:	A8B45C58 (1)
Weight, g/mol:	302.166414
ΔH_f, kcal/mol:	-329.55
Dipole, Da:	1.01
IP(EA), eV:	-8.99(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-ethyl-4-oxo-5-sulfanylpentanamide

Drug info:

PubChemData

Smile

CCCCCC1CCC(=CC1)C2=CC(=C(C=C2)C3=CC(=C(C=C3)C4=CC(=CC(=C4)OCCOC(=O)C(C)(C)CO)OCCOC(=O)C(=C)CO)CC)C

DOS

IR

Vibrations