Geometry & MOs

Info

ID:	437306
PubChem CID:	135222621
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	200.087101
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	7.76
IP(EA), eV:	-9.7(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropanecarbonyl)hexanethioic S-acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations