Geometry & MOs

Info

ID:	165288
PubChem CID:	74526993
Reduced:	SN4O4C20H20 (1)
Stoich.:	AB4C4D20E20 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-64.79
Dipole, Da:	3.27
IP(EA), eV:	-8.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-methoxyphenyl)prop-2-enoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CCC2=CSC(=N2)NC(=O)C3C=CC(=O)N=C3

DOS

IR

Vibrations