Geometry & MOs

Info

ID:	122234
PubChem CID:	50798703
Reduced:	SCl2O3N4H16C21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	478.131091
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	3.72
IP(EA), eV:	-8.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-[(2-methyl-7-oxo-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methylsulfanyl]phenyl]carbamoylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CC(=O)N2O1)CSC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations