Geometry & MOs

Info

ID:	68718
PubChem CID:	46508973
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	404.086449
ΔH_f, kcal/mol:	-87.36
Dipole, Da:	5.0
IP(EA), eV:	-9.18(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-methyl-2-(thiophene-2-carbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations