Geometry & MOs

Info

ID:	144314
PubChem CID:	53348785
Reduced:	O2N3H15C17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	407.194402
ΔH_f, kcal/mol:	55.38
Dipole, Da:	3.64
IP(EA), eV:	-7.71(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[(2-ethoxy-2-oxoacetyl)amino]-2-ethyl-4-(4-methoxyphenoxy)but-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C3C=CNN3C4=CC=CC=C4N=C2C=C1OC

DOS

IR

Vibrations