Geometry & MOs

Info

ID:	190676
PubChem CID:	78040707
Reduced:	N2O2F3C24H31 (1)
Stoich.:	A2B2C3D24E31 (1)
Weight, g/mol:	450.164952
ΔH_f, kcal/mol:	-260.24
Dipole, Da:	5.46
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(6,7-difluoro-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)-2-N-(1,1-dihydroxy-1-benzothiophen-6-yl)-4-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1C2CC3=C(C=C(C=C3)C(F)(F)F)C(N2C(=O)C14CCC(C4)NC5CCOCC5)C

DOS

IR

Vibrations