Geometry & MOs

Info

ID:	228153
PubChem CID:	87563535
Reduced:	ClO2N3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	244.186087
ΔH_f, kcal/mol:	-107.63
Dipole, Da:	7.33
IP(EA), eV:	-9.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propylundecanethioic S-acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C(=NC(=N2)CC3(CCCC3)NC(=O)O)Cl)C

DOS

IR

Vibrations