Geometry & MOs

Info

ID:	185031
PubChem CID:	77242917
Reduced:	ClFO3N5C21H25 (1)
Stoich.:	ABC3D5E21F25 (1)
Weight, g/mol:	488.107432
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	6.64
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamimidoylphenyl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethoxy)phenyl]morpholin-2-yl]acetamide;hydrochloride

Drug info:

PubChemData

Smile

C1COCCC1CNC2=NC(=C(C=C2)Cl)C3=CC(=NC=C3F)NC(=O)C4CNCCO4

DOS

IR

Vibrations