Geometry & MOs

Info

ID:	169281
PubChem CID:	75084409
Reduced:	F3N4O6C23H27 (1)
Stoich.:	A3B4C6D23E27 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	-354.03
Dipole, Da:	6.6
IP(EA), eV:	-9.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-benzyl-4-ethyl-7-methyl-5-methylimino-9,11-dioxo-4,6,10-triazatricyclo[6.3.0.02,6]undecane-7-carboxylate

Drug info:

PubChemData

Smile

CCN1CC2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)C(N2C1=NC)(C)C(=O)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations