Geometry & MOs

Info

ID:	135823
PubChem CID:	51940738
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	349.053255
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	6.27
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(5S)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CC=N3

DOS

IR

Vibrations