Geometry & MOs

Info

ID:	17563
PubChem CID:	504852
Reduced:	SN2O5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	420.171893
ΔH_f, kcal/mol:	-198.68
Dipole, Da:	4.56
IP(EA), eV:	-8.63(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-[(2-methylpropan-2-yl)oxy]-2-[(2-thiophen-2-ylacetyl)amino]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC[C@@H](C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)CC2=CC=CS2

DOS

IR

Vibrations