Geometry & MOs

Info

ID:	207431
PubChem CID:	80395124
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	188.123486
ΔH_f, kcal/mol:	-177.02
Dipole, Da:	9.38
IP(EA), eV:	-8.91(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-methylbutan-2-yloxymethyl)cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CC(C)(CC(=O)NCC1CCCS1)CC(=O)O

DOS

IR

Vibrations