Geometry & MOs

Info

ID:	228194
PubChem CID:	87563639
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	463.221954
ΔH_f, kcal/mol:	15.21
Dipole, Da:	10.8
IP(EA), eV:	-8.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-methoxy-2-(4-methylpiperazine-1-carbonyl)pyridin-4-yl]amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N

DOS

IR

Vibrations