Geometry & MOs

Info

ID:	168393
PubChem CID:	74961434
Reduced:	NF3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	331.178358
ΔH_f, kcal/mol:	-315.09
Dipole, Da:	5.46
IP(EA), eV:	-10.36(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[C-(4-methylphenyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC)C(=NC(=O)OC(C)(C)C)C1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations