Geometry & MOs

Info

ID:	66150
PubChem CID:	46500004
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	410.147786
ΔH_f, kcal/mol:	-178.72
Dipole, Da:	9.57
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N/C(=C\C2=CC=C(C=C2)OC)/C(=O)NC(CC(C)C)C(=O)O

DOS

IR

Vibrations