Geometry & MOs

Info

ID:	438625
PubChem CID:	135228369
Reduced:	S2O3N5C22H33 (1)
Stoich.:	A2B3C5D22E33 (1)
Weight, g/mol:	557.51718
ΔH_f, kcal/mol:	-116.09
Dipole, Da:	6.15
IP(EA), eV:	-8.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pentadecan-8-ylamino)phenyl]methyl 2-hexylnonanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NCSSC

DOS

IR

Vibrations