Geometry & MOs

Info

ID:	427274
PubChem CID:	135156575
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	409.1849
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	2.16
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxyethyl (3R)-3-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CO)N(CC=C)CC1=C(N=CC(=C1)Br)F

DOS

IR

Vibrations