Geometry & MOs

Info

ID:	231565
PubChem CID:	87574128
Reduced:	F3N7O8C52H52 (1)
Stoich.:	A3B7C8D52E52 (1)
Weight, g/mol:	274.02046
ΔH_f, kcal/mol:	-384.72
Dipole, Da:	8.09
IP(EA), eV:	-8.51(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoprop-2-enyl 8-oxabicyclo[5.1.0]octane-3-carboxylate

Drug info:

Smile

COC(=O)N[C@@H](C1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)[C@H]4CC[C@@H](N4C5=CC=C(C=C5)C(F)(F)F)C6=CC=C(C=C6)NC(=O)[C@@H]7CCCN7C(=O)[C@H](C8=CC=CC=C8)NC(=O)O

DOS

IR

Vibrations