Geometry & MOs

Info

ID:	153196
PubChem CID:	56312348
Reduced:	SO4N5C25H33 (1)
Stoich.:	AB4C5D25E33 (1)
Weight, g/mol:	438.226705
ΔH_f, kcal/mol:	-100.01
Dipole, Da:	8.52
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations