Geometry & MOs

Info

ID:	132060
PubChem CID:	51300961
Reduced:	ClO2N4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	390.208947
ΔH_f, kcal/mol:	-61.82
Dipole, Da:	6.73
IP(EA), eV:	-8.83(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations