Geometry & MOs

Info

ID:	190279
PubChem CID:	77980491
Reduced:	FSO2N3C27H32 (1)
Stoich.:	ABC2D3E27F32 (1)
Weight, g/mol:	400.195092
ΔH_f, kcal/mol:	-79.21
Dipole, Da:	3.64
IP(EA), eV:	-8.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-fluorophenyl)-15-methyl-14-phenyl-3,5-diazatetracyclo[7.6.0.01,13.03,7]pentadeca-4,6,8-trien-14-ol

Drug info:

PubChemData

Smile

CC12CN3C=NC(=C3C=C1CCCC2C(C)(C4CC=C(S4)C(=O)N(C)C)O)C5=CC=C(C=C5)F

DOS

IR

Vibrations