Geometry & MOs

Info

ID:	178036
PubChem CID:	76266997
Reduced:	F2O2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	493.232519
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	1.0
IP(EA), eV:	-9.78(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-N-[(2-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C2=CN=CC=C2)CC(=O)NCC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations