Geometry & MOs

Info

ID:	37677
PubChem CID:	8023055
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	319.13322
ΔH_f, kcal/mol:	-113.23
Dipole, Da:	5.37
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1[C@H]2CCS(=O)(=O)C2)C)C(=O)COC3=CC=C(C=C3)C4=NN=CO4

DOS

IR

Vibrations