Geometry & MOs

Info

ID:	68698
PubChem CID:	46508916
Reduced:	NO3C13H14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	389.048857
ΔH_f, kcal/mol:	-166.59
Dipole, Da:	4.82
IP(EA), eV:	-9.17(-0.53)
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 4-(4-chlorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC=C2C(=O)OC(C)C(=O)C3=CC=C(C=C3)NC(=O)C(C)C

DOS

IR

Vibrations