Geometry & MOs

Info

ID:	176280
PubChem CID:	76024518
Reduced:	S2O11N13C40H67 (1)
Stoich.:	A2B11C13D40E67 (1)
Weight, g/mol:	730.32628
ΔH_f, kcal/mol:	-490.35
Dipole, Da:	2.95
IP(EA), eV:	-8.41(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(12-imidazol-1-yloctadec-9-enoyloxy)propyl-triphenylphosphanium;bromide

Drug info:

PubChemData

Smile

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2CCCC2)N)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)CC(=O)N

DOS

IR

Vibrations