Geometry & MOs

Info

ID:	33752
PubChem CID:	7887939
Reduced:	FNSO4H12C16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	335.112605
ΔH_f, kcal/mol:	-121.41
Dipole, Da:	4.13
IP(EA), eV:	-9.18(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)F

DOS

IR

Vibrations