Geometry & MOs

Info

ID:	223985
PubChem CID:	85336571
Reduced:	ClON2S3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	418.20826
ΔH_f, kcal/mol:	74.44
Dipole, Da:	1.67
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-hydroxypropyl) octadec-9-enoate

Drug info:

PubChemData

Smile

COCC#CC1=CC2C(S1)NCC(C2=S)C(=S)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations