Geometry & MOs

Info

ID:	59641
PubChem CID:	24891319
Reduced:	N4O5C27H36 (1)
Stoich.:	A4B5C27D36 (1)
Weight, g/mol:	263.079373
ΔH_f, kcal/mol:	-174.08
Dipole, Da:	3.81
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-phenylprop-2-enoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N2C[C@@H]([C@@H]3[C@H]2C(=O)CO3)O)NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C6CCC6

DOS

IR

Vibrations