Geometry & MOs

Info

ID:	152598
PubChem CID:	56311569
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-156.95
Dipole, Da:	7.14
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations