Geometry & MOs

Info

ID:	405408
PubChem CID:	135073849
Reduced:	N3O5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	277.095023
ΔH_f, kcal/mol:	-129.58
Dipole, Da:	4.62
IP(EA), eV:	-9.72(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[(2-phenylacetyl)amino]but-2-enedioate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=N1)NC(=O)[C@H](CC2=CC=C(C=C2)C(=O)OC)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations