Geometry & MOs

Info

ID:	200781
PubChem CID:	79443249
Reduced:	ClNSO2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	375.89551
ΔH_f, kcal/mol:	-62.09
Dipole, Da:	8.14
IP(EA), eV:	-9.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1CC1NCC(C2CCS(=O)(=O)C2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations