Geometry & MOs

Info

ID:	429935
PubChem CID:	135169990
Reduced:	IOF3N5H11C19 (1)
Stoich.:	ABC3D5E11F19 (1)
Weight, g/mol:	546.114249
ΔH_f, kcal/mol:	-36.75
Dipole, Da:	8.37
IP(EA), eV:	-9.21(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-amino-3-[amino-[3-chloro-5-[[1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridin-2-yl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NC=C2N3C(=C(C=N3)C(=O)NC4=CN=C(C=C4)I)C(F)(F)F

DOS

IR

Vibrations