Geometry & MOs

Info

ID:	243344
PubChem CID:	99222697
Reduced:	O2S2N3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	436.236208
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	2.91
IP(EA), eV:	-9.18(-0.9)
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-[(1R)-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)CSCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations