Geometry & MOs

Info

ID:	263892
PubChem CID:	103405082
Reduced:	BrClN2S2O3H10C12 (1)
Stoich.:	ABC2D2E3F10G12 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	6.53
IP(EA), eV:	-9.32(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-(2-methoxyethoxy)propoxy]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

CC1=CSC(=C1Cl)C(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)Br

DOS

IR

Vibrations