Geometry & MOs

Info

ID:	231275
PubChem CID:	87573331
Reduced:	ClO3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	286.196651
ΔH_f, kcal/mol:	0.5
Dipole, Da:	7.35
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-sulfanylhexadec-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)C4=NNN=N4)NC(=O)O

DOS

IR

Vibrations