Geometry & MOs

Info

ID:	56253
PubChem CID:	17422861
Reduced:	N3O4C15H17 (1)
Stoich.:	A3B4C15D17 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-137.71
Dipole, Da:	4.51
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)CCCN1C=NC2=CC=CC=C2C1=O

DOS

IR

Vibrations