Geometry & MOs

Info

ID:	290705
PubChem CID:	109817173
Reduced:	SO2N4C18H34 (1)
Stoich.:	AB2C4D18E34 (1)
Weight, g/mol:	382.193567
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	4.8
IP(EA), eV:	-8.74(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-methyl-3-(1-propanoylpyrrolidin-3-yl)guanidine

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCC2(CCOCC2)SCC)NCC

DOS

IR

Vibrations