Geometry & MOs

Info

ID:	152755
PubChem CID:	56311817
Reduced:	N4O4C25H32 (1)
Stoich.:	A4B4C25D32 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-121.03
Dipole, Da:	5.4
IP(EA), eV:	-8.13(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations