Geometry & MOs

Info

ID:	161853
PubChem CID:	57392849
Reduced:	FN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	418.119858
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	4.33
IP(EA), eV:	-7.96(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(3,4-dihydroxyphenyl)ethyl]-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCC2=C1C3=C(N2CCF)C=C(C=C3)OC

DOS

IR

Vibrations