Geometry & MOs

Info

ID:	138570
PubChem CID:	52385471
Reduced:	N2O2S2C17H24 (1)
Stoich.:	A2B2C2D17E24 (1)
Weight, g/mol:	360.265102
ΔH_f, kcal/mol:	-37.43
Dipole, Da:	7.0
IP(EA), eV:	-8.83(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4R)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-4-ium-1-yl)pentanamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CC=C(C=C1)S(=O)(=O)NC)CC2=CSC=C2

DOS

IR

Vibrations