Geometry & MOs

Info

ID:	152285
PubChem CID:	56311184
Reduced:	ClN3O5C23H26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	491.245392
ΔH_f, kcal/mol:	-162.93
Dipole, Da:	4.01
IP(EA), eV:	-8.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations