Geometry & MOs

Info

ID:	142463
PubChem CID:	53038601
Reduced:	OSF2N6C22H22 (1)
Stoich.:	ABC2D6E22F22 (1)
Weight, g/mol:	452.179459
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	6.66
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-2-[[11-(4-methylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-4,7-dien-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CC3C4NN=C(N4C=CN3N2)SCC(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations