Geometry & MOs

Info

ID:	243776
PubChem CID:	99239515
Reduced:	SN3O6C23H31 (1)
Stoich.:	AB3C6D23E31 (1)
Weight, g/mol:	440.150285
ΔH_f, kcal/mol:	-209.07
Dipole, Da:	5.49
IP(EA), eV:	-9.36(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(ON=C3C)C

DOS

IR

Vibrations