Geometry & MOs

Info

ID:	135598
PubChem CID:	51899274
Reduced:	N3O6C26H27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	437.079678
ΔH_f, kcal/mol:	-144.53
Dipole, Da:	5.41
IP(EA), eV:	-9.0(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-(4-ethoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CO3)C(=O)COC(=O)[C@@H](C(C)C)NC(=O)C4=CC=CO4

DOS

IR

Vibrations