Geometry & MOs

Info

ID:	327345
PubChem CID:	126689626
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	669.180581
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	7.7
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-methylphenyl)sulfonylamino] 4-[[5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-2H-indazol-3-yl]methyl]-3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(C(=O)N(N12)CC3=CC=CC=C3)O)C(C)C

DOS

IR

Vibrations