Geometry & MOs

Info

ID:	169241
PubChem CID:	75078344
Reduced:	O4N6C43H52 (1)
Stoich.:	A4B6C43D52 (1)
Weight, g/mol:	391.235873
ΔH_f, kcal/mol:	-121.82
Dipole, Da:	4.05
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dodec-2-enoylamino)-3-(4-hydroxy-2-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)CCC1=CC2=C(C=C1)C3=C(N2)C4(C(CC(C(=O)N4CC3)CC(=O)NCCC5=CC=CC=N5)C(=O)N6CCCCC6)CCC7=CC=CC=C7

DOS

IR

Vibrations