Geometry & MOs

Info

ID:	177827
PubChem CID:	76238433
Reduced:	NSO4H19C22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	436.163436
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	2.44
IP(EA), eV:	-8.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC=CS3

DOS

IR

Vibrations