Geometry & MOs

Info

ID:	160833
PubChem CID:	57389929
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	501.202362
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	9.15
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-fluorophenyl)methylcarbamoyl]-9-(hydroxymethyl)-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-1-yl]-N',N'-dimethyloxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NOC(=C2COC3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)C(=O)O)C6CC6

DOS

IR

Vibrations