Geometry & MOs

Info

ID:	238658
PubChem CID:	92764922
Reduced:	O2N4C29H40 (1)
Stoich.:	A2B4C29D40 (1)
Weight, g/mol:	426.230077
ΔH_f, kcal/mol:	-55.88
Dipole, Da:	2.93
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)CN2CCN(CC2)CC(=O)N(C)C(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations