Geometry & MOs

Info

ID:	142462
PubChem CID:	53038596
Reduced:	ClOSN6C23H25 (1)
Stoich.:	ABCD6E23F25 (1)
Weight, g/mol:	456.154387
ΔH_f, kcal/mol:	58.15
Dipole, Da:	5.65
IP(EA), eV:	-8.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-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=CC(=C(C=C5)C)Cl

DOS

IR

Vibrations