Geometry & MOs

Info

ID:	37291
PubChem CID:	8019171
Reduced:	ON3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	403.108959
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	3.11
IP(EA), eV:	-8.68(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C)N(C)C2CCN(CC2)C

DOS

IR

Vibrations