Geometry & MOs

Info

ID:	46742
PubChem CID:	10526827
Reduced:	OH9C16 (2)
Stoich.:	AB9C16 (2)
Weight, g/mol:	435.179421
ΔH_f, kcal/mol:	99.02
Dipole, Da:	0.97
IP(EA), eV:	-8.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(E)-3-[4-(4-carbamimidoylphenoxy)carbonylphenyl]-2-methylprop-2-enoyl]-prop-2-enylamino]propanoic acid

Drug info:

PubChemData

Smile

C1COC2=CC\3=C4C(=C2)C=CC5=C4C(=CC=C5)/C3=C/6\C7=CC=CC8=C7C9=C6C=C(O1)C=C9C=C8

DOS

IR

Vibrations