Geometry & MOs

Info

ID:	51231
PubChem CID:	12013871
Reduced:	BrON2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	150.050321
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	12.48
IP(EA), eV:	-9.12(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)thiirane

Drug info:

PubChemData

Smile

CC1(C(CC1CC2=NC(=O)C3=C(N2)C=CC(=C3)Br)CC4=NC(=O)C5=C(N4)C=CC(=C5)Br)C

DOS

IR

Vibrations