Geometry & MOs

Info

ID:	68841
PubChem CID:	46509202
Reduced:	S2N3O5H19C21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	377.162708
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	6.47
IP(EA), eV:	-8.95(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(3,4-dimethylphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)[C@@H]3CCCN3C4=NS(=O)(=O)C5=CC=CC=C54

DOS

IR

Vibrations