Geometry & MOs

Info

ID:	300441
PubChem CID:	121281658
Reduced:	SO2F3N3H16C17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	537.202193
ΔH_f, kcal/mol:	-141.86
Dipole, Da:	8.13
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-chloro-2-methoxy-4-[2-[[(2R)-3-methyl-1-morpholin-4-ylbutan-2-yl]amino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea;hydrochloride

Drug info:

PubChemData

Smile

C1CCC(=CC1)C(=O)NC2=C(C3=C(S2)CCC3)C4=NC(=NO4)C(F)(F)F

DOS

IR

Vibrations