Geometry & MOs

Info

ID:	152676
PubChem CID:	56311705
Reduced:	SN4O4C22H28 (1)
Stoich.:	AB4C4D22E28 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-131.01
Dipole, Da:	3.9
IP(EA), eV:	-8.61(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NCCC2=CC=CS2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations