Geometry & MOs

Info

ID:	437808
PubChem CID:	135227094
Reduced:	OSN3C25H31 (1)
Stoich.:	ABC3D25E31 (1)
Weight, g/mol:	299.98196
ΔH_f, kcal/mol:	-0.15
Dipole, Da:	1.62
IP(EA), eV:	-8.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-bromo-4-(cyclopropylmethoxy)phenyl] ethanethioate

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=C(C=C(C=C2)SC3CC3)C4=CN(C(=O)C5=C4C=CN5)C)C

DOS

IR

Vibrations