Geometry & MOs

Info

ID:	82056
PubChem CID:	49855533
Reduced:	ClOF3N5H21C26 (1)
Stoich.:	ABC3D5E21F26 (1)
Weight, g/mol:	306.157957
ΔH_f, kcal/mol:	-78.44
Dipole, Da:	2.68
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

C1CN2C(=NC(=C2NC3=CC(=C(C=C3)Cl)F)C4=CC=C(C=C4)F)CN1C(=O)[C@H](C5=CC=C(C=C5)F)N

DOS

IR

Vibrations