Geometry & MOs

Info

ID:	173004
PubChem CID:	75582697
Reduced:	ClO3N6H23C27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	472.191069
ΔH_f, kcal/mol:	57.29
Dipole, Da:	6.0
IP(EA), eV:	-9.2(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)ethyl N-[3-[4-(4-carbamimidoylphenyl)-3-methylphenyl]-5-methyl-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC4=NNN=N4)NC(=O)OC(C)C5=CC=CC=C5Cl

DOS

IR

Vibrations