Geometry & MOs

Info

ID:	49960
PubChem CID:	11538380
Reduced:	FSN5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	391.308644
ΔH_f, kcal/mol:	101.49
Dipole, Da:	2.13
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl] N-[(2R)-2-hydroxypropyl]carbamate

Drug info:

PubChemData

Smile

C1CC1NC2=NC3=C(C=CC(=N3)N)C(=NC2C4=CC=CS4)C5=CC=C(C=C5)F

DOS

IR

Vibrations