Geometry & MOs

Info

ID:	402285
PubChem CID:	135055355
Reduced:	NO5C25H39 (1)
Stoich.:	AB5C25D39 (1)
Weight, g/mol:	426.179087
ΔH_f, kcal/mol:	-249.9
Dipole, Da:	5.53
IP(EA), eV:	-9.44(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4Z)-2-acetamido-4-(4-methoxyphenyl)-4-phenylmethoxycarbonyliminobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CC(=O)C1=CC=C(C=C1)OC)C(=O)OCC

DOS

IR

Vibrations