Geometry & MOs

Info

ID:	167029
PubChem CID:	74769626
Reduced:	NO5H25C26 (1)
Stoich.:	AB5C25D26 (1)
Weight, g/mol:	406.093164
ΔH_f, kcal/mol:	-124.22
Dipole, Da:	6.53
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chloroanilino)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=C(C=C3)OC

DOS

IR

Vibrations