Geometry & MOs

Info

ID:

44289

PubChem CID:

10502523

Reduced:

SN2O2C19H19 (1)

Stoich.:

AB2C2D19E19 (1)

Weight, g/mol:

426.200216

ΔHf, kcal/mol:

33.12

Dipole, Da:

3.04

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.911883

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(E)-but-2-enoxy]-4-[3-ethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC=C)C(=O)SCCC2=CC=CC=C2[N+]#N

DOS

IR

Vibrations