Geometry & MOs

Info

ID:	447417
PubChem CID:	135282736
Reduced:	BrFCl2N3O3H19C24 (1)
Stoich.:	ABC2D3E3F19G24 (1)
Weight, g/mol:	511.233188
ΔH_f, kcal/mol:	-106.28
Dipole, Da:	3.03
IP(EA), eV:	-9.78(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylprop-2-enylamino)ethyl N-[[4-[[4-amino-2-(1,3-oxazol-5-yl)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(COC1(C2=C(C=C(C=C2F)Br)C(=O)N1CC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations