Geometry & MOs

Info

ID:	290627
PubChem CID:	109777345
Reduced:	FIO2N4C24H40 (1)
Stoich.:	ABC2D4E24F40 (1)
Weight, g/mol:	437.271213
ΔH_f, kcal/mol:	-114.02
Dipole, Da:	4.7
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethylphenyl)sulfonylbutan-2-yl]-3-[[1-(2-methoxyethyl)cyclopentyl]methyl]-2-methylguanidine

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCCC1)CCOC)NCC(C2=CC=C(C=C2)F)N3CCOCC3.I

DOS

IR

Vibrations