Geometry & MOs

Info

ID:	196682
PubChem CID:	78863683
Reduced:	SO4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	418.109962
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	2.67
IP(EA), eV:	-9.53(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)CCC(=O)C1=CC=CS1

DOS

IR

Vibrations