Geometry & MOs

Info

ID:	185998
PubChem CID:	77375955
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	463.115519
ΔH_f, kcal/mol:	-127.03
Dipole, Da:	6.99
IP(EA), eV:	-9.04(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl)-1-(2,4-difluorophenyl)-6,8-difluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2CC(CC(N2C=N1)C(=CC(=O)O)C(=O)O)C(=O)N3C=CC4=CC=CC=C43

DOS

IR

Vibrations