Geometry & MOs

Info

ID:	175643
PubChem CID:	75929689
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	4.37
IP(EA), eV:	-8.82(1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[benzyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodec-2(6)-en-10-yl)methyl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCCN1CCCCC1CNC(=O)C

DOS

IR

Vibrations