Geometry & MOs

Info

ID:	142460
PubChem CID:	53038070
Reduced:	FO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	462.220181
ΔH_f, kcal/mol:	29.34
Dipole, Da:	7.64
IP(EA), eV:	-8.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C/C(=C/3\N=C(NO3)CCN(C)C(=O)C4=CC=CC=C4F)/N=C2C=C1

DOS

IR

Vibrations