Geometry & MOs

Info

ID:	429755
PubChem CID:	135169806
Reduced:	F3N9C25H26 (1)
Stoich.:	A3B9C25D26 (1)
Weight, g/mol:	287.078517
ΔH_f, kcal/mol:	118.18
Dipole, Da:	3.26
IP(EA), eV:	-8.44(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-amino-2-[amino-[3-chloro-5-(methoxyamino)pyridin-2-yl]amino]prop-2-enoate

Drug info:

PubChemData

Smile

C/C=C\C(=C(\C)/C=C)\C(=NC=C)N=C(/C(=C\N)/C(=C)N/C/1=C/N/N=C\C=N/N=C/C(=C1)/C#N)C(F)(F)F

DOS

IR

Vibrations