Geometry & MOs

Info

ID:	152767
PubChem CID:	56311833
Reduced:	SN4O4C23H28 (1)
Stoich.:	AB4C4D23E28 (1)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	-133.28
Dipole, Da:	6.66
IP(EA), eV:	-8.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations