Geometry & MOs

Info

ID:	187641
PubChem CID:	77602408
Reduced:	BrSCl2N2O3C19H21 (1)
Stoich.:	ABC2D2E3F19G21 (1)
Weight, g/mol:	484.17898
ΔH_f, kcal/mol:	-120.05
Dipole, Da:	0.9
IP(EA), eV:	-9.5(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-2-fluoro-5-[8-methyl-7-(methylamino)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-1,6-naphthyridin-3-yl]phenyl]-3-(3-cyanophenyl)urea

Drug info:

PubChemData

Smile

CC(C)COC(=O)NCC(CC1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC(=CS2)Br

DOS

IR

Vibrations