Geometry & MOs

Info

ID:	214552
PubChem CID:	85083182
Reduced:	NO4C15H17 (2)
Stoich.:	AB4C15D17 (2)
Weight, g/mol:	548.15348
ΔH_f, kcal/mol:	-273.48
Dipole, Da:	5.14
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-dimethoxyphosphoryl-2-[2-(tritylamino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC(CO)C(N4CCC(=O)NC4=O)OC(CO)CO

DOS

IR

Vibrations