Geometry & MOs

Info

ID:	446997
PubChem CID:	135279406
Reduced:	SN4O6C26H36 (1)
Stoich.:	AB4C6D26E36 (1)
Weight, g/mol:	500.203525
ΔH_f, kcal/mol:	-166.1
Dipole, Da:	2.45
IP(EA), eV:	-7.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethoxy-4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydropyrido[4,3-b][1,4]oxazin-5-yl]amino]ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=NC=C(C=C1)OC2=C3C=CN(C3=NC=C2)COCCS(C)(C)C)C(=O)O

DOS

IR

Vibrations