Geometry & MOs

Info

ID:	181525
PubChem CID:	76756115
Reduced:	NF2O6C33H49 (1)
Stoich.:	AB2C6D33E49 (1)
Weight, g/mol:	489.345424
ΔH_f, kcal/mol:	-343.07
Dipole, Da:	3.18
IP(EA), eV:	-9.55(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(14-formyl-19,19-dimethyl-2,16-dioxo-1-azatricyclo[15.4.0.018,20]henicosan-3-yl)acetate

Drug info:

PubChemData

Smile

CC1(C2C1C3C(=O)CC(CCCCCC(CCCC(C(=O)N3C2)CC(=O)OC(C)(C)C)(F)F)C(=O)C(=O)CC4CC4)C

DOS

IR

Vibrations