Geometry & MOs

Info

ID:	151987
PubChem CID:	56310823
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-129.61
Dipole, Da:	6.79
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations