Geometry & MOs

Info

ID:	249362
PubChem CID:	103088946
Reduced:	FSCl2N2O2C11H13 (1)
Stoich.:	ABC2D2E2F11G13 (1)
Weight, g/mol:	302.04523
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	4.44
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-bromophenyl)-5-methylsulfanylpentane-1,2-diamine

Drug info:

PubChemData

Smile

CC1CNCCN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations