Geometry & MOs

Info

ID:	447003
PubChem CID:	135279457
Reduced:	SO3N6C24H32 (1)
Stoich.:	AB3C6D24E32 (1)
Weight, g/mol:	419.16452
ΔH_f, kcal/mol:	-16.2
Dipole, Da:	7.14
IP(EA), eV:	-8.65(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[[4-[(3-fluorophenyl)methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]cyclopropyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)CCS(=O)C)N(N=C2)C4=CC(=NC(=N4)OC)N5CC(C5)O

DOS

IR

Vibrations