Geometry & MOs

Info

ID:	33049
PubChem CID:	7850466
Reduced:	N2O5H16C18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	401.140927
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	6.38
IP(EA), eV:	-9.12(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)OCC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations