Geometry & MOs

Info

ID:	219480
PubChem CID:	85148740
Reduced:	N4O7C26H34 (1)
Stoich.:	A4B7C26D34 (1)
Weight, g/mol:	514.173785
ΔH_f, kcal/mol:	-292.21
Dipole, Da:	6.82
IP(EA), eV:	-9.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-3-(methylsulfonylmethoxy)phenyl]-[1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]methanol

Drug info:

PubChemData

Smile

CCOC1C(CC(=O)O1)NC(=O)C2CN(CC3N2C(=O)C(CCCC3)NC(=O)C4=CC=CC=C4)C(=O)C

DOS

IR

Vibrations