Geometry & MOs

Info

ID:	344006
PubChem CID:	127267182
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	5.89
IP(EA), eV:	-8.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-3-(1-oxo-2H-isoquinolin-5-yl)urea

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CN(C(=O)NC2=O)C

DOS

IR

Vibrations