Geometry & MOs

Info

ID:	430275
PubChem CID:	135170339
Reduced:	O3C20H34 (2)
Stoich.:	A3B20C34 (2)
Weight, g/mol:	405.127089
ΔH_f, kcal/mol:	-375.11
Dipole, Da:	2.48
IP(EA), eV:	-8.36(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,6S,7R)-9-(4-fluorophenyl)sulfonyl-4,11-diazatricyclo[5.3.1.02,6]undecan-4-yl]-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC(CCCC(C)CCCC(C)CC)CCCC1(CCC2=C(C(=C(C(=C2O1)CC)C)OC(=O)CCC(=O)OCCOC)C)C

DOS

IR

Vibrations