Geometry & MOs

Info

ID:	220123
PubChem CID:	85165269
Reduced:	N2S3O7C31H46 (1)
Stoich.:	A2B3C7D31E46 (1)
Weight, g/mol:	654.489311
ΔH_f, kcal/mol:	-313.25
Dipole, Da:	5.38
IP(EA), eV:	-8.94(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-di(hexadecanoyloxy)propylsulfanyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C=CC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)O)C=CC(CSSC(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations