Geometry & MOs

Info

ID:	152505
PubChem CID:	56311448
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	477.229742
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	0.99
IP(EA), eV:	-8.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations