Geometry & MOs

Info

ID:	444025
PubChem CID:	135261061
Reduced:	SN4O6C31H34 (1)
Stoich.:	AB4C6D31E34 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-175.16
Dipole, Da:	10.69
IP(EA), eV:	-8.82(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[[4-[(3,4-difluorophenyl)methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)CC(C(=O)NC5CCCCC5)OC(=O)NC

DOS

IR

Vibrations