Geometry & MOs

Info

ID:	152089
PubChem CID:	56310946
Reduced:	SN4O4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-126.27
Dipole, Da:	3.79
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(3,4-dimethylanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CS2)C(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations