Geometry & MOs

Info

ID:	423120
PubChem CID:	135118968
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	413.138699
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	6.64
IP(EA), eV:	-9.52(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dimethylcarbamoyl)phenyl]methylamino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C(=O)C3=CC=CN3C

DOS

IR

Vibrations