Geometry & MOs

Info

ID:	49264
PubChem CID:	11532408
Reduced:	SN2F3O3H17C22 (1)
Stoich.:	AB2C3D3E17F22 (1)
Weight, g/mol:	446.217872
ΔH_f, kcal/mol:	-190.14
Dipole, Da:	6.79
IP(EA), eV:	-8.74(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[6-[6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)CN3C=CC4=C3C=CC=C4OCC(=O)O

DOS

IR

Vibrations