Geometry & MOs

Info

ID:	214862
PubChem CID:	85083759
Reduced:	SN4O6C33H46 (1)
Stoich.:	AB4C6D33E46 (1)
Weight, g/mol:	626.144292
ΔH_f, kcal/mol:	-246.08
Dipole, Da:	12.04
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-4-yl 3-[2-(7-chloro-1-oxoisoquinolin-2-yl)butanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate

Drug info:

PubChemData

Smile

CC(C)CC1CN(S(=O)(=O)N1CC2CCCN2C(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3)C(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations