Geometry & MOs

Info

ID:	151743
PubChem CID:	56310402
Reduced:	SN2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-110.0
Dipole, Da:	6.57
IP(EA), eV:	-9.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NCCC(C)C2=CC=CC=C2)C

DOS

IR

Vibrations