Geometry & MOs

Info

ID:	290897
PubChem CID:	111621792
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	379.251815
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	4.19
IP(EA), eV:	-9.11(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-(4-methylsulfanylbutyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)CNC(=NC)NCC2=CC=C(C=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations