Geometry & MOs

Info

ID:	243345
PubChem CID:	99222698
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-107.5
Dipole, Da:	3.12
IP(EA), eV:	-8.31(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)/C=C/C2=CC(=C(C=C2)OCC=C)OC

DOS

IR

Vibrations