Geometry & MOs

Info

ID:	153075
PubChem CID:	56312203
Reduced:	N2O2C13H17 (2)
Stoich.:	A2B2C13D17 (2)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	7.51
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2C(=O)NCC(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations