Geometry & MOs

Info

ID:	432028
PubChem CID:	135172160
Reduced:	SC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	487.26017
ΔH_f, kcal/mol:	-19.98
Dipole, Da:	2.49
IP(EA), eV:	-8.39(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-[(5-chloropyridin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC1(CCSC1=C)C(C)C

DOS

IR

Vibrations