Geometry & MOs

Info

ID:	150694
PubChem CID:	53790388
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	453.156971
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	2.8
IP(EA), eV:	-8.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-[[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)NC2=CC=CC=C2)O)O

DOS

IR

Vibrations