Geometry & MOs

Info

ID:	437751
PubChem CID:	135226980
Reduced:	BrSN2O2C14H15 (1)
Stoich.:	ABC2D2E14F15 (1)
Weight, g/mol:	322.99795
ΔH_f, kcal/mol:	42.32
Dipole, Da:	5.81
IP(EA), eV:	-9.49(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-4-(cyclopropylmethoxy)phenyl]sulfanylcyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=C(C=C2)S(=N)(=O)C3(CC3)C#N)Br

DOS

IR

Vibrations