Geometry & MOs

Info

ID:	150746
PubChem CID:	53790442
Reduced:	N5O6C36H41 (1)
Stoich.:	A5B6C36D41 (1)
Weight, g/mol:	374.249081
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	9.12
IP(EA), eV:	-9.47(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-ethylhexanoyloxy)ethylsulfanyl]ethyl 2-ethylhexanoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=CC=C1CC(C(CC2=CN=CC=C2)CC(=O)C(CC(=O)N)NC(=O)COC3=NC4=CC=CC=C4C=C3)O

DOS

IR

Vibrations