Geometry & MOs

Info

ID:	195694
PubChem CID:	78724280
Reduced:	Cl2N3O4C15H18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	373.059611
ΔH_f, kcal/mol:	-148.67
Dipole, Da:	3.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754840
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

Drug info:

PubChemData

Smile

COC(=O)CC1C(=O)NCC[NH+]1CC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations